 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer04_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-222827.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    222828.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer04_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:27:31 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0121492258 Hartrees.
 Nuclear repulsion after empirical dispersion term =      411.0358899506 Hartrees.
 Leave Link  301 at Thu Aug 12 22:27:32 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.85D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:27:33 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.985756957353    
 DIIS: error= 3.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.985756957353     IErMin= 1 ErrMin= 3.30D-03
 ErrMax= 3.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.406 Goal=   None    Shift=    0.000
 GapD=    0.406 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.72D-03 MaxDP=4.00D-01              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.63D-03    CP:  1.05D+00
 E= -401.994855133696     Delta-E=       -0.009098176344 Rises=F Damp=F
 DIIS: error= 6.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.994855133696     IErMin= 2 ErrMin= 6.96D-04
 ErrMax= 6.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-04 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.96D-03
 Coeff-Com: -0.623D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.619D-02 0.101D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=8.52D-04 MaxDP=4.59D-02 DE=-9.10D-03 OVMax= 6.52D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.56D-04    CP:  1.06D+00  1.13D+00
 E= -401.995179504833     Delta-E=       -0.000324371137 Rises=F Damp=F
 DIIS: error= 5.91D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.995179504833     IErMin= 3 ErrMin= 5.91D-04
 ErrMax= 5.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-04 BMatP= 3.92D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.91D-03
 Coeff-Com: -0.477D-01 0.478D+00 0.570D+00
 Coeff-En:   0.000D+00 0.337D-01 0.966D+00
 Coeff:     -0.475D-01 0.475D+00 0.572D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.15D-04 MaxDP=1.94D-02 DE=-3.24D-04 OVMax= 2.24D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.17D-04    CP:  1.06D+00  1.16D+00  1.09D+00
 E= -401.995388521733     Delta-E=       -0.000209016900 Rises=F Damp=F
 DIIS: error= 9.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.995388521733     IErMin= 4 ErrMin= 9.27D-05
 ErrMax= 9.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-06 BMatP= 3.02D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-01 0.680D-01 0.136D+00 0.809D+00
 Coeff:     -0.129D-01 0.680D-01 0.136D+00 0.809D+00
 Gap=     0.403 Goal=   None    Shift=    0.000
 RMSDP=7.35D-05 MaxDP=6.01D-03 DE=-2.09D-04 OVMax= 9.54D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.50D-05    CP:  1.06D+00  1.16D+00  1.18D+00  1.23D+00
 E= -401.995395438181     Delta-E=       -0.000006916447 Rises=F Damp=F
 DIIS: error= 4.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.995395438181     IErMin= 5 ErrMin= 4.84D-05
 ErrMax= 4.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-06 BMatP= 6.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.188D-02-0.405D-01-0.385D-01 0.320D+00 0.757D+00
 Coeff:      0.188D-02-0.405D-01-0.385D-01 0.320D+00 0.757D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.88D-05 MaxDP=2.67D-03 DE=-6.92D-06 OVMax= 4.98D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.45D-05    CP:  1.06D+00  1.17D+00  1.22D+00  1.31D+00  1.14D+00
 E= -401.995397318250     Delta-E=       -0.000001880070 Rises=F Damp=F
 DIIS: error= 1.19D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.995397318250     IErMin= 6 ErrMin= 1.19D-05
 ErrMax= 1.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 1.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-02-0.183D-01-0.205D-01 0.770D-01 0.272D+00 0.688D+00
 Coeff:      0.133D-02-0.183D-01-0.205D-01 0.770D-01 0.272D+00 0.688D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=8.24D-06 MaxDP=1.04D-03 DE=-1.88D-06 OVMax= 1.58D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.52D-06    CP:  1.06D+00  1.17D+00  1.23D+00  1.35D+00  1.23D+00
                    CP:  1.19D+00
 E= -401.995397427718     Delta-E=       -0.000000109468 Rises=F Damp=F
 DIIS: error= 6.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.995397427718     IErMin= 7 ErrMin= 6.72D-06
 ErrMax= 6.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-08 BMatP= 1.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.282D-03-0.140D-02-0.245D-02-0.227D-01-0.800D-02 0.338D+00
 Coeff-Com:  0.696D+00
 Coeff:      0.282D-03-0.140D-02-0.245D-02-0.227D-01-0.800D-02 0.338D+00
 Coeff:      0.696D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=4.38D-06 MaxDP=5.60D-04 DE=-1.09D-07 OVMax= 9.46D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.39D-06    CP:  1.06D+00  1.17D+00  1.23D+00  1.37D+00  1.30D+00
                    CP:  1.34D+00  1.29D+00
 E= -401.995397462353     Delta-E=       -0.000000034635 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.995397462353     IErMin= 8 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-09 BMatP= 2.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-03 0.272D-02 0.286D-02-0.221D-01-0.507D-01-0.875D-02
 Coeff-Com:  0.268D+00 0.809D+00
 Coeff:     -0.123D-03 0.272D-02 0.286D-02-0.221D-01-0.507D-01-0.875D-02
 Coeff:      0.268D+00 0.809D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.29D-06 MaxDP=3.06D-04 DE=-3.46D-08 OVMax= 4.96D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.44D-07    CP:  1.06D+00  1.17D+00  1.23D+00  1.37D+00  1.33D+00
                    CP:  1.43D+00  1.48D+00  1.29D+00
 E= -401.995397467543     Delta-E=       -0.000000005190 Rises=F Damp=F
 DIIS: error= 4.91D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.995397467543     IErMin= 9 ErrMin= 4.91D-07
 ErrMax= 4.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-10 BMatP= 3.53D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.610D-04 0.959D-03 0.107D-02-0.532D-02-0.152D-01-0.341D-01
 Coeff-Com:  0.274D-01 0.249D+00 0.776D+00
 Coeff:     -0.610D-04 0.959D-03 0.107D-02-0.532D-02-0.152D-01-0.341D-01
 Coeff:      0.274D-01 0.249D+00 0.776D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=8.39D-07 MaxDP=1.20D-04 DE=-5.19D-09 OVMax= 1.43D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.94D-07    CP:  1.06D+00  1.17D+00  1.23D+00  1.38D+00  1.34D+00
                    CP:  1.45D+00  1.56D+00  1.44D+00  1.24D+00
 E= -401.995397467933     Delta-E=       -0.000000000390 Rises=F Damp=F
 DIIS: error= 1.93D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.995397467933     IErMin=10 ErrMin= 1.93D-07
 ErrMax= 1.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-11 BMatP= 2.26D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-05-0.483D-04-0.508D-04 0.122D-02 0.218D-02-0.812D-02
 Coeff-Com: -0.248D-01-0.383D-01 0.216D+00 0.851D+00
 Coeff:     -0.412D-05-0.483D-04-0.508D-04 0.122D-02 0.218D-02-0.812D-02
 Coeff:     -0.248D-01-0.383D-01 0.216D+00 0.851D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=2.50D-07 MaxDP=2.89D-05 DE=-3.90D-10 OVMax= 5.69D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.34D-08    CP:  1.06D+00  1.17D+00  1.23D+00  1.38D+00  1.34D+00
                    CP:  1.46D+00  1.59D+00  1.50D+00  1.39D+00  1.13D+00
 E= -401.995397467994     Delta-E=       -0.000000000061 Rises=F Damp=F
 DIIS: error= 5.31D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.995397467994     IErMin=11 ErrMin= 5.31D-08
 ErrMax= 5.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-12 BMatP= 2.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.583D-05-0.123D-03-0.138D-03 0.961D-03 0.240D-02 0.171D-02
 Coeff-Com: -0.975D-02-0.399D-01-0.279D-01 0.228D+00 0.844D+00
 Coeff:      0.583D-05-0.123D-03-0.138D-03 0.961D-03 0.240D-02 0.171D-02
 Coeff:     -0.975D-02-0.399D-01-0.279D-01 0.228D+00 0.844D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=8.78D-08 MaxDP=9.88D-06 DE=-6.12D-11 OVMax= 1.62D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.88D-08    CP:  1.06D+00  1.17D+00  1.23D+00  1.38D+00  1.34D+00
                    CP:  1.46D+00  1.59D+00  1.52D+00  1.44D+00  1.25D+00
                    CP:  1.26D+00
 E= -401.995397468019     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.92D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.995397468019     IErMin=12 ErrMin= 1.92D-08
 ErrMax= 1.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-13 BMatP= 2.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-05-0.304D-04-0.336D-04 0.155D-03 0.472D-03 0.112D-02
 Coeff-Com: -0.538D-03-0.733D-02-0.253D-01-0.778D-02 0.228D+00 0.812D+00
 Coeff:      0.194D-05-0.304D-04-0.336D-04 0.155D-03 0.472D-03 0.112D-02
 Coeff:     -0.538D-03-0.733D-02-0.253D-01-0.778D-02 0.228D+00 0.812D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=1.78D-08 MaxDP=1.38D-06 DE=-2.50D-11 OVMax= 5.01D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.81D-09    CP:  1.06D+00  1.17D+00  1.23D+00  1.38D+00  1.34D+00
                    CP:  1.46D+00  1.59D+00  1.53D+00  1.46D+00  1.27D+00
                    CP:  1.40D+00  1.16D+00
 E= -401.995397468010     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 8.52D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.995397468019     IErMin=13 ErrMin= 8.52D-09
 ErrMax= 8.52D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-14 BMatP= 2.61D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-06 0.105D-04 0.121D-04-0.105D-03-0.236D-03 0.358D-04
 Coeff-Com:  0.127D-02 0.414D-02-0.238D-02-0.366D-01-0.792D-01 0.224D+00
 Coeff-Com:  0.889D+00
 Coeff:     -0.330D-06 0.105D-04 0.121D-04-0.105D-03-0.236D-03 0.358D-04
 Coeff:      0.127D-02 0.414D-02-0.238D-02-0.366D-01-0.792D-01 0.224D+00
 Coeff:      0.889D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=7.61D-09 MaxDP=6.01D-07 DE= 8.87D-12 OVMax= 1.97D-07

 SCF Done:  E(RwB97XD) =  -401.995397468     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0106
 KE= 3.977972721580D+02 PE=-1.758790583355D+03 EE= 5.479620237785D+02
 Leave Link  502 at Thu Aug 12 22:28:35 2021, MaxMem=  5368709120 cpu:             490.8 elap:              61.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.33743155D+02

 Leave Link  801 at Thu Aug 12 22:28:35 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.95D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.37D-01 4.86D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.21D-02 2.66D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.52D-03 6.61D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 1.06D-04 1.74D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.71D-06 3.17D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.27D-07 5.44D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 3.24D-09 1.16D-05.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 6.40D-11 2.24D-06.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 8.72D-13 2.55D-07.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.23D-14 2.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.800420D+02
      2  0.466248D+00  0.813867D+02
      3 -0.134036D+01  0.183509D+01  0.729996D+02
 Isotropic polarizability for W=    0.088559       78.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.738665D+02 -0.248649D+02  0.259608D+02
      2  -0.375587D+02  0.108344D+02 -0.222127D+02
      3  -0.363078D+02  0.140305D+02 -0.374806D+01
      4  -0.161113D+02  0.341571D+02  0.403112D+01
      5   0.195253D+02  0.343524D+01  0.387682D+02
      6   0.887284D+01 -0.136950D+02  0.774356D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.189848D+01 -0.305309D+01 -0.107494D+01
      2   0.140488D+02 -0.244396D+01  0.248866D+02
      3   0.111517D+02 -0.264959D+02  0.300239D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.595883D+00  0.851769D+01  0.628691D+01
      2   0.643547D+01 -0.484172D+01  0.750759D+02
      3   0.875358D+01 -0.717158D+02  0.543760D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.130243D+00 -0.879780D+00 -0.639122D+00
      2  -0.879780D+00 -0.658476D+00  0.822337D+00
      3  -0.639122D+00  0.822337D+00 -0.811822D+00
 OR G Eigenvalues:    -1.5754    -0.9588     1.1941  Iso=     0.4467
 Eigenvectors:
   (1)   0.118335   0.723493  -0.680114
   (2)   0.690035   0.432607   0.580261
   (3)   0.714037  -0.537968  -0.448043
 w=    0.088559 a.u., Optical Rotation Beta=      0.4467 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      193.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.14D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.62D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.11D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 7.08D-02 4.07D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.91D-03 9.85D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.80D-05 6.26D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 4.80D-07 8.13D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 5.60D-09 8.32D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.75D-11 5.48D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.32D-13 4.39D-08.
      2 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.68D-15 3.63D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 4.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.40D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.800420D+02  0.466248D+00 -0.134036D+01
      2   0.466248D+00  0.813867D+02  0.183509D+01
      3  -0.134036D+01  0.183509D+01  0.729996D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.189848D+01 -0.305309D+01 -0.107494D+01
      2   0.140488D+02 -0.244396D+01  0.248866D+02
      3   0.111517D+02 -0.264959D+02  0.300239D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.738665D+02 -0.248649D+02  0.259608D+02
      2  -0.375587D+02  0.108344D+02 -0.222127D+02
      3  -0.363078D+02  0.140305D+02 -0.374806D+01
      4  -0.161113D+02  0.341571D+02  0.403112D+01
      5   0.195253D+02  0.343524D+01  0.387682D+02
      6   0.887284D+01 -0.136950D+02  0.774356D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.589214D+01  0.213433D+01 -0.356819D+01  0.248202D+01  0.914339D+00
      2   0.213433D+01  0.104102D+01  0.104111D-01  0.914339D+00 -0.608096D+01
      3  -0.356819D+01  0.104111D-01  0.177819D+01  0.213703D+00 -0.751721D+00
                 6             7             8             9            10 
      1   0.213703D+00 -0.269539D+01  0.901546D-01  0.231841D+01  0.538988D+01
      2  -0.751721D+00  0.901546D-01 -0.542737D-01  0.303607D+01 -0.316883D+01
      3   0.262772D+01  0.231841D+01  0.303607D+01  0.491372D+00  0.299897D+01
                11            12            13            14            15 
      1  -0.316883D+01  0.299897D+01 -0.450975D+01 -0.177437D+01  0.729985D+00
      2  -0.116212D+01  0.201045D+00 -0.177437D+01  0.377929D+01  0.100385D+01
      3   0.201045D+00 -0.261091D+01  0.729985D+00  0.100385D+01 -0.364784D+01
                16            17            18            19            20 
      1   0.556200D+01  0.132783D+00 -0.306722D+01 -0.584896D+01  0.413500D+01
      2   0.132783D+00  0.942030D+00 -0.405685D+01  0.413500D+01  0.132752D+01
      3  -0.306722D+01 -0.405685D+01 -0.750659D+00 -0.186914D+01 -0.771431D+00
                21            22            23            24            25 
      1  -0.186914D+01  0.223951D+01  0.104294D+01 -0.517685D-01 -0.287486D+01
      2  -0.771431D+00  0.104294D+01 -0.159502D+01  0.660995D+00 -0.104340D+01
      3   0.102629D+01 -0.517685D-01  0.660995D+00  0.285838D+01  0.119854D+01
                26            27            28            29            30 
      1  -0.104340D+01  0.119854D+01  0.642405D+00 -0.204866D+01 -0.154506D+00
      2  -0.580699D+00  0.321778D+01 -0.204866D+01  0.105504D+01  0.114166D+01
      3   0.321778D+01  0.381424D+01 -0.154506D+00  0.114166D+01  0.413006D+00
                31            32            33            34            35 
      1  -0.176295D+01 -0.527613D+00  0.219705D+01 -0.275948D+01  0.159078D+01
      2  -0.527613D+00 -0.521276D+00  0.867458D+00  0.159078D+01 -0.328388D-01
      3   0.219705D+01  0.867458D+00 -0.282831D+01  0.113161D+01 -0.224365D+01
                36            37            38            39            40 
      1   0.113161D+01  0.407556D+01  0.596497D+00 -0.267749D+01  0.417997D-01
      2  -0.224365D+01  0.596497D+00  0.153951D+01 -0.134337D+01  0.783346D+00
      3  -0.324833D+01 -0.267749D+01 -0.134337D+01  0.920655D+00 -0.173349D+01
                41            42            43            44            45 
      1   0.783346D+00 -0.173349D+01 -0.394712D+01 -0.273993D+01  0.483312D+00
      2  -0.356055D+01 -0.209926D+01 -0.273993D+01 -0.379220D+01 -0.250679D+00
      3  -0.209926D+01  0.250001D+00  0.483312D+00 -0.250679D+00 -0.254048D+01
                46            47            48            49            50 
      1  -0.532900D+01  0.288698D+01 -0.211898D+01  0.191667D+01  0.193675D+01
      2   0.288698D+01  0.154294D+01  0.795462D-02  0.193675D+01 -0.301027D+01
      3  -0.211898D+01  0.795462D-02  0.260744D+01 -0.186772D+00 -0.507012D+00
                51            52            53            54            55 
      1  -0.186772D+00 -0.224481D+01 -0.108135D+00  0.228766D+01  0.432263D+01
      2  -0.507012D+00 -0.108135D+00  0.444407D-01  0.418021D+01 -0.175655D+01
      3   0.364715D+01  0.228766D+01  0.418021D+01  0.296925D+01  0.218302D+01
                56            57            58            59            60 
      1  -0.175655D+01  0.218302D+01 -0.694520D+00  0.555069D+00 -0.409255D+00
      2   0.179947D+01 -0.371060D+00  0.555069D+00  0.368613D+01 -0.161339D+01
      3  -0.371060D+00  0.171142D+01 -0.409255D+00 -0.161339D+01 -0.116492D+01
                61            62            63            64            65 
      1   0.222524D+01 -0.474699D+00  0.155984D+01 -0.387530D+01  0.171920D+01
      2  -0.474699D+00 -0.220073D+01 -0.846042D+00  0.171920D+01 -0.191286D+01
      3   0.155984D+01 -0.846042D+00 -0.317812D+01  0.304949D+01 -0.680688D+00
                66            67            68            69            70 
      1   0.304949D+01  0.290271D+01 -0.125564D+01 -0.120229D+01  0.488401D+01
      2  -0.680688D+00 -0.125564D+01  0.379724D+01  0.171929D+01 -0.449472D+00
      3  -0.188098D+01 -0.120229D+01  0.171929D+01  0.245489D+01 -0.288477D+01
                71            72            73            74            75 
      1  -0.449472D+00 -0.288477D+01  0.319170D+00 -0.783096D+00 -0.101481D+01
      2   0.320468D+01  0.200951D+01 -0.783096D+00 -0.222278D+00 -0.554658D-01
      3   0.200951D+01  0.778878D+01 -0.101481D+01 -0.554658D-01 -0.625633D+00
                76            77            78            79            80 
      1  -0.117040D+01 -0.307748D+00 -0.147486D+00 -0.111045D+01  0.666167D-01
      2  -0.307748D+00 -0.920315D+00 -0.153190D+01  0.666167D-01 -0.175702D+01
      3  -0.147486D+00 -0.153190D+01 -0.195443D+01 -0.895692D+00 -0.152958D+01
                81            82            83            84            85 
      1  -0.895692D+00  0.307345D+01  0.152379D+01 -0.245686D+01  0.239620D+01
      2  -0.152958D+01  0.152379D+01  0.166264D+01 -0.663264D+00  0.163298D+01
      3  -0.730944D+01 -0.245686D+01 -0.663264D+00  0.252196D+01 -0.854302D+00
                86            87            88            89            90 
      1   0.163298D+01 -0.854302D+00 -0.345031D+01 -0.636881D+00  0.263281D+01
      2   0.139767D+01 -0.144377D+01 -0.636881D+00 -0.172704D+01  0.176310D+01
      3  -0.144377D+01  0.189758D+01  0.263281D+01  0.176310D+01 -0.387636D+01
                91            92            93            94            95 
      1  -0.470777D+01 -0.326020D+01  0.143876D+01 -0.210343D+01 -0.204297D+01
      2  -0.326020D+01 -0.334875D+01  0.104779D+01 -0.204297D+01 -0.332294D+01
      3   0.143876D+01  0.104779D+01 -0.138655D+01  0.726486D+00  0.758277D+00
                96            97            98            99           100 
      1   0.726486D+00  0.317274D+01  0.235064D+01 -0.188687D+01 -0.465195D+01
      2   0.758277D+00  0.235064D+01  0.273302D+01 -0.157710D+01  0.288403D+01
      3  -0.952128D+00 -0.188687D+01 -0.157710D+01  0.162620D+01 -0.265254D+01
               101           102           103           104           105 
      1   0.288403D+01 -0.265254D+01  0.175693D+01 -0.151903D+01  0.754068D+00
      2  -0.255067D+01  0.148313D+01 -0.151903D+01  0.200782D+01 -0.904126D+00
      3   0.148313D+01 -0.206563D+01  0.754068D+00 -0.904126D+00  0.803527D+00
               106           107           108           109           110 
      1  -0.313185D+01  0.137987D+01 -0.204753D+01  0.911557D-01  0.523742D+00
      2   0.137987D+01 -0.175092D+01  0.144604D+01  0.523742D+00 -0.422807D+00
      3  -0.204753D+01  0.144604D+01 -0.231605D+01  0.383133D+00 -0.484462D+00
               111           112           113           114           115 
      1   0.383133D+00  0.682694D+00 -0.333633D+00 -0.536236D+00  0.129413D+01
      2  -0.484462D+00 -0.333633D+00  0.250335D+01  0.118077D+01 -0.599933D+00
      3   0.811201D-01 -0.536236D+00  0.118077D+01  0.169148D+01  0.722901D-01
               116           117           118           119           120 
      1  -0.599933D+00  0.722901D-01 -0.651519D-01 -0.791153D+00 -0.728496D+00
      2   0.308330D+01  0.164873D+01 -0.791153D+00 -0.915570D+00 -0.470977D+00
      3   0.164873D+01  0.358839D+01 -0.728496D+00 -0.470977D+00 -0.109415D+01
               121           122           123           124           125 
      1  -0.677045D+00 -0.321113D+00 -0.102604D+00 -0.121071D+01  0.116455D+00
      2  -0.321113D+00 -0.226270D+01 -0.195397D+01  0.116455D+00 -0.334395D+01
      3  -0.102604D+00 -0.195397D+01 -0.235584D+01 -0.546215D+00 -0.331551D+01
               126           127           128           129           130 
      1  -0.546215D+00  0.892477D+01 -0.332199D+01  0.847432D+00 -0.160560D+01
      2  -0.331551D+01 -0.332199D+01  0.269640D+01 -0.128704D+00  0.154188D+01
      3  -0.621778D+01  0.847432D+00 -0.128704D+00  0.110369D+01 -0.103600D+00
               131           132           133           134           135 
      1   0.154188D+01 -0.103600D+00  0.118289D+01 -0.447933D+00  0.950216D+00
      2  -0.109492D+01  0.228626D+00 -0.447933D+00  0.572008D+00 -0.863120D+00
      3   0.228626D+00 -0.488558D+00  0.950216D+00 -0.863120D+00  0.176647D+00
               136           137           138           139           140 
      1  -0.371564D+01 -0.735154D+00  0.143304D+01 -0.733648D+00 -0.100238D+01
      2  -0.735154D+00 -0.213940D+01  0.717313D+00 -0.100238D+01 -0.278038D+01
      3   0.143304D+01  0.717313D+00 -0.168248D+01  0.454438D+00  0.139739D+01
               141           142           143           144           145 
      1   0.454438D+00  0.170237D+01  0.462501D+00 -0.117215D+01  0.453325D+00
      2   0.139739D+01  0.462501D+00  0.276303D+01 -0.203272D+01  0.818402D+00
      3  -0.166636D+01 -0.117215D+01 -0.203272D+01  0.256645D+01  0.352528D+00
               146           147           148           149           150 
      1   0.818402D+00  0.352528D+00  0.141359D+01  0.291924D+00  0.517687D+00
      2  -0.183943D+00  0.374622D-02  0.291924D+00  0.843231D+01  0.153081D+01
      3   0.374622D-02 -0.395466D+00  0.517687D+00  0.153081D+01  0.174126D+01
               151           152           153           154           155 
      1   0.675950D-01  0.645786D-01 -0.354564D+00 -0.207831D+01 -0.712210D+00
      2   0.645786D-01  0.587578D+00  0.754497D+00 -0.712210D+00 -0.110231D+01
      3  -0.354564D+00  0.754497D+00  0.234041D+00  0.126781D+01  0.373871D+00
               156           157           158           159           160 
      1   0.126781D+01 -0.111917D+01 -0.646813D+00  0.265863D+00  0.145438D+01
      2   0.373871D+00 -0.646813D+00 -0.528356D+00  0.101167D+01  0.358248D+00
      3  -0.271472D+01  0.265863D+00  0.101167D+01 -0.204613D+01 -0.134711D+01
               161           162           163           164           165 
      1   0.358248D+00 -0.134711D+01  0.887189D+01 -0.644120D+00  0.328682D+01
      2   0.107715D+01 -0.921476D+00 -0.644120D+00  0.129616D+01 -0.174992D-01
      3  -0.921476D+00  0.479041D+01  0.328682D+01 -0.174992D-01  0.229273D+01
               166           167           168           169           170 
      1  -0.145562D+01  0.103207D+01 -0.531480D+00  0.187962D+01 -0.112243D+00
      2   0.103207D+01  0.738733D-01  0.446013D+00 -0.112243D+00  0.232446D+00
      3  -0.531480D+00  0.446013D+00 -0.867474D+00  0.156743D+01 -0.419228D+00
               171 
      1   0.156743D+01
      2  -0.419228D+00
      3   0.139143D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.575757D+01  0.143390D+01 -0.107361D+01  0.220718D+00 -0.979300D+01
      2   0.111933D+00 -0.214645D+01  0.121348D+02 -0.229233D+01 -0.288222D+01
      3  -0.834928D+01 -0.268800D+01 -0.321485D+01  0.174550D+01  0.119083D+02
                 6             7             8             9            10 
      1  -0.659703D+01 -0.128594D+01 -0.683986D+00  0.339600D+01  0.135791D+01
      2   0.494326D+01  0.667724D+01  0.589542D+01 -0.205291D+01  0.103965D+02
      3   0.163393D+01 -0.226475D+01 -0.127148D+00 -0.393737D+01  0.462764D+01
                11            12            13            14            15 
      1  -0.170087D+00 -0.217821D+00 -0.145009D+01 -0.821990D+00 -0.359572D+01
      2  -0.596599D-01  0.459599D+00 -0.329577D+01  0.935630D+00 -0.391678D+01
      3  -0.978978D+00 -0.188811D+01  0.568089D+01 -0.650146D+01  0.599945D+00
                16            17            18            19            20 
      1  -0.682074D+00  0.315655D+01  0.138869D+01 -0.301706D+01 -0.247319D+01
      2  -0.354295D+01 -0.415214D+01 -0.280736D+01 -0.602265D+01  0.551845D+00
      3   0.250716D+01  0.139834D+00  0.482976D+01 -0.692036D+00 -0.236596D+01
                21            22            23            24            25 
      1  -0.477711D+00 -0.876667D+00  0.406657D+01 -0.289707D+01  0.146223D+00
      2   0.152193D+01  0.145577D+01 -0.934470D+00  0.200741D+01 -0.944730D+01
      3   0.184586D+01  0.314858D+01 -0.131946D+01  0.134551D+01 -0.168052D+01
                26            27            28            29            30 
      1   0.311027D+01 -0.463148D+01  0.104473D+01  0.484691D+01  0.227738D+01
      2   0.239292D+00 -0.326713D+00 -0.930035D+01 -0.287485D+01  0.179070D+01
      3   0.100057D+01  0.394290D+00 -0.797610D+01 -0.349584D+01  0.270617D+00
                31            32            33            34            35 
      1   0.246816D+01 -0.614225D+01 -0.106433D+01  0.134599D+01  0.679836D+00
      2   0.207279D+01  0.225148D+01 -0.138024D+01 -0.461640D+01 -0.162347D+01
      3   0.162819D+01  0.469629D+01 -0.502638D+01 -0.564987D+01 -0.112827D+02
                36            37            38            39            40 
      1   0.420788D+01 -0.339175D+01 -0.764210D+00  0.929597D-02 -0.490410D+00
      2   0.115613D+02  0.439787D+01  0.346023D+01 -0.147710D-01 -0.940295D+00
      3  -0.226586D+00 -0.402001D+01  0.751483D+00  0.906491D+00  0.587648D+01
                41            42            43            44            45 
      1   0.222249D+00 -0.482488D+01  0.330899D+01  0.395610D+01 -0.500770D+01
      2   0.291841D+01  0.104930D+01 -0.447723D+01  0.652674D+00  0.502074D+01
      3  -0.677315D+01 -0.176759D+01  0.219575D+01 -0.993830D+00 -0.285054D+01
                46            47            48            49            50 
      1  -0.521879D+01 -0.677464D+00  0.492984D+01 -0.962144D+00  0.937520D+00
      2  -0.618585D+01  0.680627D+00  0.544464D+01  0.269292D+00  0.790260D-01
      3   0.367766D+01 -0.122350D+02  0.369496D+01 -0.544459D+01  0.227777D+01
                51            52            53            54            55 
      1   0.539565D+01  0.312040D+01  0.114303D+02  0.451299D+01 -0.321340D+01
      2   0.594517D+01  0.114351D+01  0.728967D+01  0.560347D+01  0.541673D+01
      3   0.975271D+00  0.400625D+01  0.256379D+00 -0.118532D+02  0.933744D+01
                56            57            58            59            60 
      1   0.209315D+00 -0.524167D+01 -0.763155D-01 -0.191828D+01  0.206113D+00
      2  -0.100852D+01  0.470663D+01  0.342266D+00  0.183473D+01 -0.393435D+00
      3  -0.930444D+01  0.561243D+01  0.234662D+01  0.272049D+01 -0.877834D+00
                61            62            63            64            65 
      1  -0.444542D+01  0.963773D+01  0.922314D+01  0.460855D+00 -0.393378D+01
      2  -0.178086D+00  0.685097D+00  0.187069D+01  0.229064D-01  0.193802D+01
      3   0.313083D+01 -0.147357D+01  0.398830D+01  0.308309D+01 -0.561422D+01
                66            67            68            69            70 
      1   0.446564D+00 -0.792370D+00  0.360559D+01 -0.159373D+01 -0.377452D+00
      2   0.519115D+01  0.312210D+00 -0.449747D+01 -0.227504D+01 -0.244769D+01
      3  -0.115894D+01  0.204686D+01  0.510523D+01  0.432821D+01  0.492921D+01
                71            72            73            74            75 
      1   0.718474D+01 -0.168345D+00  0.123520D+01  0.523059D+00  0.331458D+00
      2  -0.288068D+01 -0.138491D+02 -0.284642D-02 -0.568515D+00 -0.173876D+00
      3   0.875327D+01  0.253791D+01  0.791737D-01 -0.110691D+01 -0.781343D+00
                76            77            78            79            80 
      1   0.238375D+00  0.215063D+01  0.115363D+01 -0.917155D-01  0.484251D+01
      2  -0.162189D+01 -0.125784D+00 -0.101479D+00 -0.297633D+01  0.334560D+00
      3   0.121973D+01 -0.410871D+00 -0.670969D+00  0.422615D+00 -0.552299D+00
                81            82            83            84            85 
      1   0.289172D+01 -0.585336D+00 -0.157261D+01 -0.319719D+00 -0.396792D+00
      2  -0.327052D-01 -0.119880D+01 -0.320550D-01  0.380245D+01  0.158096D+01
      3  -0.955949D+00 -0.143414D+01 -0.381827D+01  0.611621D+00  0.430526D+00
                86            87            88            89            90 
      1  -0.907097D+00 -0.792414D+00 -0.119409D+00  0.238892D+01 -0.157445D+00
      2  -0.982624D+00  0.278017D+01 -0.112614D+01  0.227747D+01 -0.436813D+01
      3  -0.233013D+01  0.173129D+01 -0.115722D+01  0.311124D+01 -0.180272D+01
                91            92            93            94            95 
      1   0.308270D+01  0.191812D+01 -0.294826D+01  0.222103D+01  0.224659D+01
      2  -0.275208D+01 -0.277260D+01  0.340577D+01 -0.171306D+01 -0.233582D+01
      3   0.166469D+01 -0.237672D+01 -0.663232D+00  0.102481D+01 -0.236944D+01
                96            97            98            99           100 
      1  -0.205425D+01 -0.289717D+01 -0.154964D+01  0.312760D+01  0.296197D+01
      2   0.242542D+01  0.271949D+01  0.296605D+01 -0.424310D+01 -0.515769D+01
      3   0.295211D+00 -0.107754D+01  0.248006D+01 -0.369288D+00 -0.102161D+02
               101           102           103           104           105 
      1   0.114721D+00  0.384210D+01 -0.184913D+00 -0.189450D+00 -0.140732D+01
      2   0.217066D+01 -0.543545D+00  0.164045D+01 -0.128177D+01  0.183542D+00
      3   0.389170D+01 -0.566560D+01  0.470428D+01 -0.211423D+01  0.140490D+01
               106           107           108           109           110 
      1   0.295045D+01 -0.296808D+00  0.284517D+01 -0.182740D+01  0.133601D+01
      2  -0.355934D+01  0.889900D+00 -0.936206D+00 -0.213719D+00  0.471211D+00
      3  -0.720825D+01  0.191176D+01 -0.399058D+01  0.508841D+00 -0.334697D+00
               111           112           113           114           115 
      1   0.625609D+00  0.156190D+01 -0.524360D+01 -0.559755D+01  0.580928D+00
      2   0.554523D-01  0.446105D+00 -0.975201D+00 -0.103776D+01 -0.129026D+01
      3   0.146098D+01  0.154846D+01 -0.390457D+00 -0.581513D+00  0.428801D+01
               116           117           118           119           120 
      1  -0.536938D+01 -0.125846D+02 -0.686577D+00  0.274452D+00 -0.227585D+01
      2  -0.113362D+01 -0.136280D+01 -0.167961D+01 -0.983608D+00 -0.144487D+01
      3  -0.200627D+00  0.404871D+00  0.238885D+01  0.208738D+01  0.191654D+01
               121           122           123           124           125 
      1  -0.381765D-01 -0.170434D+01 -0.485731D+01 -0.159992D+01 -0.141264D+01
      2  -0.109843D+01 -0.331756D+01 -0.376279D+01 -0.407377D+01 -0.478349D+01
      3   0.333531D+01  0.415839D+01  0.370781D+01  0.309799D+01  0.527664D+01
               126           127           128           129           130 
      1  -0.103518D+02  0.293377D+01 -0.881700D+00  0.282902D+01 -0.954686D+00
      2  -0.989983D+01  0.456238D+01 -0.115796D+01  0.488478D+01 -0.601629D+00
      3   0.709440D+01 -0.105120D+02 -0.236887D+01 -0.156423D+01  0.183853D+01
               131           132           133           134           135 
      1   0.806192D+00 -0.186090D+01  0.149620D+01 -0.637485D+00  0.862224D+00
      2   0.117066D+01 -0.137714D+01  0.118360D+01 -0.157989D+01  0.101804D+01
      3  -0.522939D+00 -0.340326D+00 -0.165688D+01 -0.809485D+00  0.393812D+00
               136           137           138           139           140 
      1   0.363181D+01  0.115188D+01 -0.425804D+01  0.140677D+01  0.312979D+01
      2   0.285128D+01  0.897139D+00 -0.161708D+01  0.118042D+01  0.210388D+01
      3   0.120076D+02  0.385642D+01 -0.448608D+01  0.514535D+01  0.633448D+01
               141           142           143           144           145 
      1  -0.507192D+01 -0.269871D+01 -0.250589D+01  0.609038D+01  0.874602D+00
      2  -0.218227D+01 -0.360321D+01 -0.307270D+01  0.340030D+01  0.107091D+01
      3  -0.386352D+01 -0.541022D+01 -0.509657D+01  0.612481D+01 -0.147582D+01
               146           147           148           149           150 
      1  -0.997197D+00  0.828306D+00 -0.118162D+01  0.111710D+02 -0.265124D+01
      2  -0.979783D+00 -0.491967D+00 -0.167752D+01  0.331121D+01  0.266393D+01
      3   0.694427D+00 -0.721808D-01  0.409662D+01 -0.153881D+02 -0.143944D+01
               151           152           153           154           155 
      1   0.892440D+00  0.881749D+00  0.876592D+00 -0.217942D+01 -0.293706D+01
      2  -0.179527D+01  0.126408D+01  0.494627D+00  0.879249D+01  0.215720D+01
      3  -0.265344D+00 -0.596101D+00 -0.203618D+01  0.276044D+00  0.385428D+00
               156           157           158           159           160 
      1   0.193487D+01 -0.122165D+01 -0.195988D+01  0.150615D+01  0.187635D+01
      2  -0.570668D+01  0.292229D+01  0.287252D+01 -0.384458D+01 -0.727671D+01
      3   0.453642D+00  0.148985D+01  0.171446D+00 -0.136265D+01  0.276416D+00
               161           162           163           164           165 
      1   0.428888D+01 -0.436351D+01 -0.322137D+01  0.259893D+01 -0.124176D+01
      2  -0.273319D+01  0.103885D+02 -0.577900D+01  0.117513D+01  0.309679D+01
      3  -0.878930D+00  0.419113D+00  0.679211D+01 -0.567464D+01  0.180457D+01
               166           167           168           169           170 
      1   0.117846D+01 -0.574325D+00  0.102224D+00 -0.128787D+01  0.159402D+01
      2   0.101837D+01 -0.144636D+00 -0.172669D+01 -0.133563D+01 -0.768121D+00
      3  -0.183948D+01  0.980913D+00 -0.761735D+00  0.151635D+01 -0.918446D+00
               171 
      1  -0.124059D+01
      2   0.119114D+01
      3   0.183520D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.263211D+02  0.913147D+01 -0.221844D+02  0.110356D+02  0.110468D+02
      2   0.224622D+02 -0.309085D+01  0.474860D+01 -0.549366D+01 -0.165509D+02
      3   0.385890D+01 -0.604062D+01  0.174358D+02 -0.554198D+01  0.550410D+01
      4   0.366799D+01  0.514070D+01 -0.152795D+01  0.450450D+01 -0.190893D+02
      5  -0.231870D+02  0.481122D+01 -0.359912D+01  0.663648D+01 -0.813183D+00
      6   0.204200D+01  0.270439D+01 -0.209375D+00  0.159285D+01 -0.105382D+02
                 6             7             8             9            10 
      1  -0.180800D+01 -0.173881D+02 -0.292422D+01  0.570288D+01  0.706507D+01
      2  -0.804147D+01  0.358154D+01 -0.587632D+01 -0.120644D+01 -0.270899D+01
      3   0.984947D+01  0.138065D+02  0.880054D+01 -0.449644D+01 -0.435608D+01
      4  -0.187729D+01 -0.640424D+00  0.339207D+00  0.108648D+02 -0.112518D+02
      5   0.692520D+01 -0.519441D+00  0.817873D+01  0.722070D+01  0.153909D+02
      6   0.775299D+00  0.139783D+01  0.104866D+01  0.759473D+01  0.569163D+01
                11            12            13            14            15 
      1  -0.108833D+02  0.115629D+02 -0.918573D+01 -0.261515D+01  0.301356D+01
      2   0.101318D+02 -0.717624D+01  0.991303D+01 -0.302525D+01 -0.142141D+01
      3   0.751480D+00 -0.438665D+01 -0.727301D+00  0.564040D+01 -0.159215D+01
      4  -0.267842D+01  0.234923D+01 -0.480373D+01  0.102628D+02  0.408922D+01
      5   0.263295D+01 -0.971574D+01  0.466843D+00  0.668952D+01 -0.115760D+02
      6  -0.355546D+00 -0.113283D+01  0.112993D+01 -0.207898D+01 -0.129555D+01
                16            17            18            19            20 
      1   0.108683D+02  0.129902D+01 -0.110475D+02 -0.927152D+01 -0.432951D+01
      2  -0.714794D+01 -0.232970D+01  0.834759D+01  0.693494D+01  0.523465D+01
      3  -0.372040D+01  0.103068D+01  0.269990D+01  0.233658D+01 -0.905135D+00
      4  -0.832423D+00  0.145084D+00 -0.116564D+02  0.978554D+00 -0.232660D+01
      5  -0.106332D+02 -0.120628D+02  0.158049D+01 -0.548129D+01 -0.232347D+00
      6  -0.233904D+01  0.344029D+00  0.100919D+01 -0.649877D+01 -0.334204D+01
                21            22            23            24            25 
      1   0.278978D+01  0.249200D+01  0.734749D+01  0.306561D+01  0.204992D+00
      2   0.163164D+01 -0.344206D+00 -0.829532D+01  0.577213D+01  0.176315D+01
      3  -0.442142D+01 -0.214779D+01  0.947831D+00 -0.883774D+01 -0.196814D+01
      4  -0.926101D-01 -0.677349D+01 -0.596418D+00  0.716036D+00  0.437288D+01
      5   0.740338D+00  0.380352D+01 -0.163286D+01  0.783581D+00  0.159983D+01
      6   0.147548D+01  0.116091D+01  0.672338D+01 -0.563281D+01 -0.636123D+00
                26            27            28            29            30 
      1   0.556894D+01  0.733658D+01 -0.191160D+01  0.175888D+01 -0.707582D+00
      2   0.445825D+01  0.951317D+01  0.199847D+01 -0.343929D+01 -0.704417D+01
      3  -0.100272D+02 -0.168497D+02 -0.868683D-01  0.168041D+01  0.775175D+01
      4   0.136323D+01 -0.159688D+01  0.337074D+01 -0.311384D+01 -0.729757D+01
      5  -0.147060D+01 -0.483676D+01  0.640453D+01 -0.661135D+01 -0.406643D+01
      6   0.676909D+00 -0.459209D+01 -0.323748D+01 -0.765539D+00  0.127687D+01
                31            32            33            34            35 
      1   0.535159D+01  0.479791D+01 -0.618816D+01  0.100045D+02 -0.354101D+01
      2  -0.626018D+01 -0.100530D+02  0.988911D+01 -0.910177D+01 -0.178797D+01
      3   0.908598D+00  0.525505D+01 -0.370095D+01 -0.902774D+00  0.532898D+01
      4  -0.560865D+01 -0.216511D+01 -0.371207D+01 -0.110471D+02  0.590936D+01
      5  -0.170121D+02 -0.322263D+01  0.396784D+01 -0.109917D+02  0.448592D+01
      6  -0.399465D+01 -0.677650D+01 -0.180746D+01 -0.714780D-01 -0.269584D+01
                36            37            38            39            40 
      1  -0.979506D+00 -0.118547D+01 -0.132207D+00  0.775742D+01 -0.198876D+01
      2   0.915247D+01 -0.219121D+00 -0.162998D+01 -0.203284D+01  0.152089D+01
      3  -0.817296D+01  0.140459D+01  0.176218D+01 -0.572458D+01  0.467873D+00
      4   0.610364D+01 -0.106653D+02 -0.711315D+00  0.115838D+02  0.644723D+01
      5   0.186008D+02  0.116075D+02  0.756145D+01  0.217848D+01  0.103582D+02
      6  -0.371010D+01  0.845556D+01  0.687503D+01 -0.166514D+01  0.643346D+01
                41            42            43            44            45 
      1  -0.145338D+02  0.283762D+01  0.116831D+02  0.539414D+01 -0.466019D+01
      2   0.246590D+02  0.477050D+00 -0.192814D+01  0.331231D+01 -0.747614D+00
      3  -0.101252D+02 -0.331467D+01 -0.975493D+01 -0.870645D+01  0.540780D+01
      4   0.109681D+02  0.944185D+01  0.184365D+02  0.157975D+02 -0.118914D+01
      5   0.100199D+02  0.282433D+01  0.270836D+01  0.236380D+01  0.108844D+02
      6   0.864623D+01  0.649809D+01 -0.176193D+01  0.637029D+01  0.871523D+01
                46            47            48            49            50 
      1  -0.257072D+02  0.199967D+02 -0.814595D+01  0.138517D+02  0.106479D+01
      2   0.655178D+01 -0.140675D+02  0.709952D+01 -0.115503D+02  0.974877D+01
      3   0.191554D+02 -0.592911D+01  0.104643D+01 -0.230147D+01 -0.108136D+02
      4   0.229360D+02 -0.575949D+01  0.647732D+01 -0.171649D+01 -0.132312D+02
      5  -0.542506D+01  0.556710D+00  0.778333D+01  0.275272D+00 -0.371401D+01
      6   0.541887D+01  0.143773D+01 -0.104087D+02  0.224476D+00  0.277667D+01
                51            52            53            54            55 
      1   0.124373D+01 -0.968459D+01  0.253993D+01  0.203577D+02  0.718935D+01
      2   0.443482D+01  0.711275D+01  0.436180D+01 -0.136718D+02 -0.312835D+01
      3  -0.567855D+01  0.257185D+01 -0.690173D+01 -0.668591D+01 -0.406100D+01
      4  -0.918301D+00  0.667631D+01  0.124395D+01  0.362275D+01  0.151616D+02
      5   0.957855D+01  0.722570D+01  0.105168D+02  0.810197D+01 -0.992259D+01
      6  -0.133745D+02 -0.764299D+01 -0.159376D+02 -0.111714D+02  0.105575D+02
                56            57            58            59            60 
      1   0.162929D+00 -0.190236D+01 -0.152267D+01 -0.171003D+02  0.534541D+01
      2   0.341294D+01  0.377322D+01  0.378032D+01  0.266268D+02 -0.981865D+01
      3  -0.357587D+01 -0.187085D+01 -0.225765D+01 -0.952652D+01  0.447324D+01
      4  -0.395285D+01  0.796335D+01  0.265998D+01  0.444036D+01 -0.105826D+01
      5   0.481523D+01 -0.324100D+01  0.147748D+01 -0.135115D+01  0.985364D+00
      6  -0.466190D+01  0.825656D+01 -0.351921D+01 -0.147425D+02  0.304705D+01
                61            62            63            64            65 
      1  -0.339241D+00  0.833146D+01 -0.538178D+01  0.230136D+02 -0.328073D+01
      2   0.364323D+01 -0.123770D+02 -0.842478D+01 -0.165001D+02  0.163430D+01
      3  -0.330399D+01  0.404556D+01  0.138066D+02 -0.651349D+01  0.164644D+01
      4   0.602412D+01  0.576681D+00  0.815222D+01 -0.852129D+01  0.129303D+02
      5  -0.142812D+01  0.354423D+01 -0.344049D+01 -0.167504D+02  0.617763D+01
      6   0.820431D+01  0.469805D+00 -0.132292D+02  0.316006D+01 -0.217324D+01
                66            67            68            69            70 
      1  -0.880688D+01 -0.786303D+01 -0.217470D+01  0.135742D+01 -0.114934D+02
      2   0.109620D+02  0.503379D+01  0.359739D+01 -0.564839D+01  0.108652D+02
      3  -0.215507D+01  0.282924D+01 -0.142269D+01  0.429097D+01  0.628235D+00
      4   0.533913D+01  0.115325D+02 -0.126087D+02 -0.747704D+01  0.613338D+01
      5   0.165449D+02  0.910895D+01 -0.719617D+01 -0.785307D+01  0.217786D+02
      6  -0.313330D+01 -0.339499D+01  0.465755D+01  0.987382D+01 -0.181778D+01
                71            72            73            74            75 
      1  -0.249918D+01 -0.350983D+01  0.541715D+00  0.510412D+00 -0.353691D+00
      2  -0.856593D+00 -0.223525D+02 -0.425643D+01 -0.905990D+00 -0.187947D+01
      3   0.335577D+01  0.258623D+02  0.371472D+01  0.395577D+00  0.223317D+01
      4  -0.125517D+02 -0.935100D+01  0.221511D+00  0.192645D+01  0.395997D+00
      5  -0.710179D+01 -0.300378D+02  0.209351D+01  0.133046D+01  0.628528D+01
      6   0.884366D+01  0.706323D+01  0.141136D+01  0.334175D+00  0.325125D+00
                76            77            78            79            80 
      1   0.386475D+00 -0.414314D+01 -0.461314D+01 -0.103782D+01 -0.259584D+01
      2  -0.840243D+00 -0.968839D+00 -0.360180D+01 -0.157859D+01 -0.432334D+01
      3   0.453768D+00  0.511198D+01  0.821494D+01  0.261642D+01  0.691918D+01
      4   0.200270D+01  0.425350D+00  0.539248D+00  0.194394D+00  0.880697D+00
      5   0.594397D+00  0.765644D+00  0.177480D+01  0.521189D+01  0.105264D+01
      6   0.562997D+00  0.367197D+01  0.690113D+01 -0.680023D-01  0.610266D+01
                81            82            83            84            85 
      1  -0.171561D+02  0.165984D+02  0.591303D+01 -0.927502D+01  0.616421D+01
      2  -0.163667D+02 -0.111639D+02 -0.420334D+01  0.735885D+01 -0.366765D+01
      3   0.335228D+02 -0.543448D+01 -0.170969D+01  0.191617D+01 -0.249656D+01
      4   0.372427D+00  0.910642D+01  0.854386D+01 -0.455862D+01  0.923706D+01
      5   0.558941D+01 -0.155566D+02 -0.491379D+01  0.146076D+02 -0.556520D+01
      6   0.341608D+01 -0.365616D+01 -0.272595D+01  0.312824D+01 -0.373466D+01
                86            87            88            89            90 
      1   0.294517D+01 -0.215004D+01 -0.842517D+01 -0.147469D+01  0.460979D+01
      2  -0.442230D+00  0.150163D+01  0.854284D+01  0.308569D+01 -0.110616D+02
      3  -0.250294D+01  0.648410D+00 -0.117676D+00 -0.161100D+01  0.645179D+01
      4   0.711979D+01 -0.644587D+01 -0.416614D+01 -0.590817D+01  0.702011D+01
      5  -0.678828D+01  0.801498D+01  0.154599D+02  0.737766D+01 -0.186463D+02
      6  -0.444281D+01  0.584771D+01  0.332296D+01  0.518144D+01 -0.590571D+01
                91            92            93            94            95 
      1   0.191451D+02  0.101956D+02 -0.604776D+01  0.384711D+01  0.222483D+01
      2  -0.515079D+01 -0.137881D+00  0.175207D+01  0.254131D+01  0.613482D+01
      3  -0.139943D+02 -0.100577D+02  0.429568D+01 -0.638842D+01 -0.835965D+01
      4   0.213867D+02  0.179533D+02 -0.672609D+01  0.129038D+02  0.151502D+02
      5  -0.735178D+01 -0.471559D+01  0.629363D+01 -0.256799D+01 -0.302680D+01
      6  -0.505955D+01 -0.340366D+01  0.363448D+01 -0.265183D+01 -0.365850D+01
                96            97            98            99           100 
      1  -0.566607D+00 -0.923995D+01 -0.460155D+01  0.334426D+01  0.318270D+01
      2  -0.151304D+01  0.236659D+01 -0.158257D+01 -0.768915D+00 -0.105931D+00
      3   0.207964D+01  0.687336D+01  0.618412D+01 -0.257534D+01 -0.307677D+01
      4  -0.451213D+01 -0.146040D+02 -0.135847D+02  0.912959D+01 -0.196191D+02
      5   0.319606D+01  0.909867D+01  0.703142D+01 -0.739499D+01  0.140285D+02
      6   0.359707D+01  0.688037D+01  0.708468D+01 -0.657799D+01 -0.137163D+02
               101           102           103           104           105 
      1   0.215286D+01 -0.386271D+00  0.127383D+01 -0.332528D+01  0.180538D+01
      2  -0.567551D+01 -0.107362D+01 -0.420266D+01  0.659020D+01 -0.257239D+01
      3   0.352265D+01  0.145989D+01  0.292883D+01 -0.326492D+01  0.767007D+00
      4   0.152131D+02 -0.114797D+02  0.108947D+02 -0.772824D+01  0.403489D+01
      5  -0.840859D+01  0.108191D+02 -0.440770D+01  0.436403D+01 -0.231338D+01
      6   0.998210D+01 -0.105882D+02  0.594079D+01 -0.675097D+01  0.611181D+01
               106           107           108           109           110 
      1  -0.835992D+00  0.319112D+01 -0.312731D+01 -0.419876D+00 -0.224980D+00
      2  -0.173359D+01 -0.203459D+01 -0.157167D+01  0.144447D+01 -0.252357D+01
      3   0.256959D+01 -0.115653D+01  0.469898D+01 -0.102459D+01  0.274855D+01
      4  -0.114267D+02  0.560355D+01 -0.803569D+01 -0.945145D+00  0.402143D+01
      5   0.104153D+02 -0.508746D+01  0.828712D+01  0.171252D+00 -0.766999D+00
      6  -0.969058D+01  0.885525D+01 -0.102413D+02  0.768695D+00 -0.202344D+01
               111           112           113           114           115 
      1   0.170570D+01 -0.697048D+00 -0.603892D+01 -0.214941D+01  0.626667D+00
      2  -0.241727D+01 -0.152122D+01  0.126529D+02  0.753867D+01 -0.255196D+01
      3   0.711572D+00  0.221827D+01 -0.661402D+01 -0.538925D+01  0.192529D+01
      4   0.897327D+00  0.412717D+01 -0.353089D+01 -0.260231D+01  0.381510D+01
      5   0.215493D+01 -0.719677D+00 -0.103574D+01 -0.141341D+01  0.112380D+01
      6   0.986155D-01 -0.194498D+01  0.509043D+01  0.844230D+01  0.138758D+00
               116           117           118           119           120 
      1  -0.697568D+01 -0.300284D+01 -0.154878D+00 -0.569553D+01 -0.391781D+01
      2   0.143747D+02  0.894598D+01  0.157873D+00  0.470106D+01  0.117509D+01
      3  -0.739901D+01 -0.594314D+01 -0.299513D-02  0.994469D+00  0.274272D+01
      4  -0.491685D+01 -0.113252D+01 -0.129643D+01  0.176575D+01  0.179177D+01
      5  -0.831732D+00 -0.212460D+01 -0.493974D+00  0.283996D+00  0.756948D+00
      6   0.768739D+01  0.146837D+02  0.293743D+01  0.266733D+01  0.495422D+01
               121           122           123           124           125 
      1  -0.322684D+01 -0.101791D+02 -0.794089D+01 -0.415654D+01 -0.107899D+02
      2   0.238300D+01  0.103932D+02  0.656990D+01  0.114811D+01  0.907891D+01
      3   0.843844D+00 -0.214121D+00  0.137098D+01  0.300843D+01  0.171100D+01
      4   0.334597D+01 -0.417692D+01 -0.405313D+01  0.511707D+01 -0.794806D+01
      5   0.919055D+00 -0.495768D+01 -0.654378D+01  0.312670D+01 -0.939780D+01
      6   0.961559D+00  0.114284D+02  0.147051D+02  0.183937D+01  0.180359D+02
               126           127           128           129           130 
      1  -0.183102D+02  0.478517D+02 -0.119513D+02  0.418810D+01 -0.587072D+01
      2   0.192838D+01 -0.178749D+02 -0.138524D+01 -0.187965D+01 -0.202746D+01
      3   0.163818D+02 -0.299769D+02  0.133365D+02 -0.230845D+01  0.789818D+01
      4  -0.568878D+01 -0.378754D+02  0.223071D+02 -0.282683D+01  0.148614D+02
      5  -0.169175D+02  0.637340D+00  0.470442D+00  0.797878D+01  0.137406D+00
      6   0.261473D+02 -0.187366D+01 -0.274969D+00 -0.435738D+01  0.128262D+00
               131           132           133           134           135 
      1   0.522201D+01 -0.900205D-01  0.615501D+01 -0.147950D+01  0.278798D+01
      2   0.190109D+01 -0.107032D+01 -0.244437D+01 -0.133609D+01 -0.122665D+01
      3  -0.712311D+01  0.116034D+01 -0.371064D+01  0.281559D+01 -0.156133D+01
      4  -0.970481D+01  0.151074D+01 -0.542930D+01  0.363235D+01 -0.459582D+01
      5   0.715044D+00 -0.186702D+01  0.709868D+01 -0.359571D+01  0.160229D+01
      6  -0.549192D+00  0.328548D+01 -0.319008D+01  0.424712D+01 -0.501259D+00
               136           137           138           139           140 
      1  -0.158616D+01 -0.914331D+01  0.499041D+01 -0.663047D+01 -0.115815D+02
      2   0.297691D+01  0.110085D+02 -0.411685D+01  0.689329D+01  0.163642D+02
      3  -0.139074D+01 -0.186520D+01 -0.873560D+00 -0.262817D+00 -0.478272D+01
      4   0.100561D+02 -0.187060D+00 -0.386808D+01  0.299950D+01 -0.131612D+01
      5   0.128068D+01  0.782817D+00 -0.246731D+01  0.881164D+00  0.284783D+01
      6  -0.525790D+01 -0.392503D+01  0.728949D+01 -0.295223D+01 -0.776132D+01
               141           142           143           144           145 
      1   0.580766D+01  0.599996D+01  0.853997D+01 -0.111553D+02  0.176818D+01
      2  -0.822436D+01 -0.409635D+01 -0.121497D+02  0.730840D+01  0.154853D+00
      3   0.241670D+01 -0.190361D+01  0.360977D+01  0.384690D+01 -0.192303D+01
      4   0.266260D+00 -0.564695D+01  0.355010D+01  0.139632D+00  0.225278D+01
      5  -0.397790D+01 -0.903917D+00 -0.452690D+01  0.484621D+01  0.237986D+01
      6   0.962226D+01  0.498896D+01  0.109282D+02 -0.112029D+02  0.721052D+00
               146           147           148           149           150 
      1   0.293992D+01  0.277613D+01  0.400092D+01 -0.156135D+02 -0.341598D+01
      2  -0.172915D+01 -0.562838D+00 -0.166135D+01  0.280307D+02  0.118765D+01
      3  -0.121077D+01 -0.221329D+01 -0.233958D+01 -0.124172D+02  0.222833D+01
      4   0.424312D+01  0.287909D+00  0.743228D+01  0.277376D+02  0.624552D+01
      5   0.121551D+01  0.118699D+01  0.399980D+01  0.460494D+01  0.547915D+01
      6  -0.536757D+00 -0.503690D+00  0.189131D+01  0.192483D+02  0.952294D+01
               151           152           153           154           155 
      1   0.630450D+00 -0.282691D+01 -0.413270D+01 -0.353863D+01 -0.251827D+01
      2   0.137967D+00  0.117692D+01  0.238214D+01 -0.261253D+01 -0.460226D+00
      3  -0.768417D+00  0.164999D+01  0.175057D+01  0.615116D+01  0.297849D+01
      4  -0.136253D+00  0.155174D+01  0.163929D+01 -0.206488D+01 -0.212024D+01
      5   0.122770D+01  0.223802D+01  0.261946D+00 -0.328547D+01 -0.152707D+01
      6  -0.508558D+00  0.733477D+01  0.218763D+01 -0.151956D+01 -0.379776D+01
               156           157           158           159           160 
      1   0.106709D+02 -0.383602D+01 -0.530184D+01  0.481136D+01  0.899141D+01
      2   0.348098D+01  0.861938D+00  0.188501D+01  0.378200D+01  0.956762D+00
      3  -0.141519D+02  0.297408D+01  0.341683D+01 -0.859336D+01 -0.994817D+01
      4   0.115398D+01 -0.879920D+00 -0.594267D+00  0.200845D+01  0.202023D+01
      5  -0.628964D+00 -0.279938D+01  0.157464D+00 -0.358673D+01  0.376267D+01
      6   0.435761D+00 -0.229740D+01 -0.271290D+01  0.468155D+01  0.897471D+00
               161           162           163           164           165 
      1   0.343833D+01 -0.161611D+02  0.504633D+02 -0.398101D+01  0.134993D+02
      2   0.249827D+01 -0.103577D+02 -0.323218D+02  0.281451D+01 -0.129054D+02
      3  -0.593660D+01  0.265188D+02 -0.181415D+02  0.116650D+01 -0.593872D+00
      4   0.296609D+01 -0.324669D+01  0.356718D+01  0.819140D+01  0.197277D+01
      5  -0.530162D+00  0.498331D+01  0.321195D+02 -0.162758D+01  0.193878D+02
      6   0.505165D+01 -0.168877D+01 -0.344723D+00  0.398506D+01  0.112374D+01
               166           167           168           169           170 
      1  -0.789305D+01  0.370047D+01 -0.158888D+01  0.832992D+01  0.182203D+00
      2   0.526298D+01 -0.733165D+00  0.320564D+01 -0.864182D+01  0.108370D+01
      3   0.263007D+01 -0.296730D+01 -0.161676D+01  0.311904D+00 -0.126590D+01
      4   0.687544D+01 -0.895968D+00  0.246384D+01  0.113935D+01  0.134996D+01
      5  -0.558644D+01  0.357408D+01 -0.439850D+01  0.146804D+02 -0.171803D+01
      6   0.312304D+01 -0.396029D+00  0.219820D+01  0.522763D+00  0.175779D+01
               171 
      1   0.581882D+01
      2  -0.848823D+01
      3   0.266941D+01
      4  -0.551551D+00
      5   0.100995D+02
      6  -0.161197D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:39:45 2021, MaxMem=  5368709120 cpu:            5350.2 elap:             670.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32432 -19.26621 -14.43761 -10.44075 -10.34530
 Alpha  occ. eigenvalues --  -10.31102 -10.28951 -10.28617  -1.21411  -1.12110
 Alpha  occ. eigenvalues --   -0.99573  -0.89460  -0.80640  -0.77865  -0.71937
 Alpha  occ. eigenvalues --   -0.65503  -0.61879  -0.58782  -0.57748  -0.56906
 Alpha  occ. eigenvalues --   -0.53307  -0.52774  -0.50706  -0.49218  -0.47689
 Alpha  occ. eigenvalues --   -0.46637  -0.42984  -0.42313  -0.42142  -0.41497
 Alpha  occ. eigenvalues --   -0.37864  -0.33972
 Alpha virt. eigenvalues --    0.06265   0.07255   0.09808   0.10621   0.11379
 Alpha virt. eigenvalues --    0.13981   0.14740   0.15228   0.15651   0.16226
 Alpha virt. eigenvalues --    0.17604   0.18877   0.19695   0.20219   0.20728
 Alpha virt. eigenvalues --    0.21437   0.21681   0.23245   0.24171   0.24640
 Alpha virt. eigenvalues --    0.25355   0.26216   0.27027   0.27612   0.28783
 Alpha virt. eigenvalues --    0.29274   0.30019   0.31099   0.31960   0.32756
 Alpha virt. eigenvalues --    0.33727   0.34401   0.35437   0.36087   0.37175
 Alpha virt. eigenvalues --    0.37576   0.37876   0.38496   0.39538   0.39972
 Alpha virt. eigenvalues --    0.40568   0.41161   0.41781   0.42301   0.43092
 Alpha virt. eigenvalues --    0.43645   0.43815   0.44656   0.44919   0.45854
 Alpha virt. eigenvalues --    0.46168   0.46870   0.47776   0.48039   0.48860
 Alpha virt. eigenvalues --    0.49783   0.50719   0.51157   0.51389   0.52737
 Alpha virt. eigenvalues --    0.53713   0.53869   0.54634   0.55992   0.56517
 Alpha virt. eigenvalues --    0.57195   0.57345   0.58129   0.59041   0.59348
 Alpha virt. eigenvalues --    0.60091   0.61134   0.61502   0.61956   0.62789
 Alpha virt. eigenvalues --    0.64096   0.64436   0.64716   0.65747   0.66782
 Alpha virt. eigenvalues --    0.67179   0.68344   0.68478   0.69375   0.69815
 Alpha virt. eigenvalues --    0.72093   0.73047   0.73777   0.74791   0.75583
 Alpha virt. eigenvalues --    0.76079   0.77224   0.78314   0.79244   0.80679
 Alpha virt. eigenvalues --    0.81370   0.83427   0.83913   0.84312   0.85845
 Alpha virt. eigenvalues --    0.87260   0.88876   0.90220   0.91789   0.93603
 Alpha virt. eigenvalues --    0.97275   0.98961   1.00710   1.01643   1.04109
 Alpha virt. eigenvalues --    1.06333   1.09077   1.10196   1.11927   1.12057
 Alpha virt. eigenvalues --    1.12773   1.13572   1.15439   1.16212   1.18247
 Alpha virt. eigenvalues --    1.19770   1.20763   1.23244   1.26538   1.27116
 Alpha virt. eigenvalues --    1.30668   1.32037   1.32733   1.36093   1.37464
 Alpha virt. eigenvalues --    1.40715   1.44498   1.45055   1.48247   1.49943
 Alpha virt. eigenvalues --    1.52520   1.53617   1.59343   1.61038   1.63176
 Alpha virt. eigenvalues --    1.66129   1.68269   1.69659   1.72460   1.73529
 Alpha virt. eigenvalues --    1.75440   1.79065   1.79801   1.83136   1.85238
 Alpha virt. eigenvalues --    1.85693   1.86296   1.88226   1.90770   1.90829
 Alpha virt. eigenvalues --    1.91161   1.96170   1.97335   1.97918   2.02156
 Alpha virt. eigenvalues --    2.02728   2.04925   2.05927   2.07574   2.08755
 Alpha virt. eigenvalues --    2.11280   2.11931   2.13967   2.15280   2.17709
 Alpha virt. eigenvalues --    2.18580   2.20251   2.21061   2.23109   2.23966
 Alpha virt. eigenvalues --    2.24997   2.26881   2.30001   2.33237   2.35992
 Alpha virt. eigenvalues --    2.37586   2.38332   2.40751   2.44898   2.45665
 Alpha virt. eigenvalues --    2.48789   2.50851   2.52998   2.54879   2.58105
 Alpha virt. eigenvalues --    2.61560   2.66287   2.68127   2.70140   2.74942
 Alpha virt. eigenvalues --    2.75798   2.79300   2.82508   2.85694   2.95896
 Alpha virt. eigenvalues --    2.96689   2.97506   3.01702   3.06783   3.07011
 Alpha virt. eigenvalues --    3.09106   3.10137   3.13984   3.15727   3.21898
 Alpha virt. eigenvalues --    3.22374   3.27004   3.27752   3.31187   3.32976
 Alpha virt. eigenvalues --    3.34016   3.47646   3.53569   3.71821   3.73875
 Alpha virt. eigenvalues --    3.91863   4.03860
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.186831   0.371671   0.037197  -0.071768   0.003365  -0.022291
     2  C    0.371671   5.744470   0.100895   0.141023  -0.056670   0.354143
     3  C    0.037197   0.100895   5.615269  -0.060969  -0.066775  -0.026960
     4  C   -0.071768   0.141023  -0.060969   5.497716  -0.223870  -0.049575
     5  O    0.003365  -0.056670  -0.066775  -0.223870   8.571873  -0.010659
     6  C   -0.022291   0.354143  -0.026960  -0.049575  -0.010659   4.318976
     7  N    0.016872  -0.078793  -0.446925  -0.010733   0.043522   0.040664
     8  O   -0.022928  -0.036857  -0.038857   0.082797   0.031136   0.017127
     9  H    0.011636   0.059332   0.372947  -0.051351  -0.030627  -0.031888
    10  H   -0.036723   0.243517   0.031124  -0.008160   0.001388  -0.115637
    11  H    0.001728  -0.002575   0.021225   0.147590   0.120735  -0.004173
    12  H    0.000952   0.036989   0.190318   0.018595  -0.009326  -0.002549
    13  H    0.003944  -0.058656   0.300149  -0.080459  -0.008999  -0.002931
    14  H    0.007405   0.050253  -0.042193  -0.028914  -0.000325   0.355629
    15  H   -0.009547   0.137402   0.021795   0.009478  -0.006020   0.188481
    16  H   -0.020506   0.151169  -0.054483   0.048856   0.012127   0.135605
    17  H    0.336302   0.064192  -0.002227  -0.031643   0.000552  -0.001703
    18  H    0.163302   0.141487  -0.044478   0.062472  -0.015944  -0.015367
    19  H    0.204589   0.132210   0.014509  -0.008534   0.001956  -0.004885
               7          8          9         10         11         12
     1  C    0.016872  -0.022928   0.011636  -0.036723   0.001728   0.000952
     2  C   -0.078793  -0.036857   0.059332   0.243517  -0.002575   0.036989
     3  C   -0.446925  -0.038857   0.372947   0.031124   0.021225   0.190318
     4  C   -0.010733   0.082797  -0.051351  -0.008160   0.147590   0.018595
     5  O    0.043522   0.031136  -0.030627   0.001388   0.120735  -0.009326
     6  C    0.040664   0.017127  -0.031888  -0.115637  -0.004173  -0.002549
     7  N    8.725000   0.015156  -0.063085  -0.198464  -0.003605  -0.435693
     8  O    0.015156   8.477640  -0.001422   0.003424  -0.063068  -0.012973
     9  H   -0.063085  -0.001422   0.782938   0.018697  -0.000095  -0.007726
    10  H   -0.198464   0.003424   0.018697   1.261321   0.000559   0.017919
    11  H   -0.003605  -0.063068  -0.000095   0.000559   0.576159   0.000637
    12  H   -0.435693  -0.012973  -0.007726   0.017919   0.000637   1.009042
    13  H   -0.452324   0.024366   0.033960   0.031268   0.001701   0.126719
    14  H    0.004080   0.004475   0.023779  -0.028885  -0.000487  -0.000564
    15  H   -0.000178  -0.003232  -0.001574   0.020386   0.000468  -0.000157
    16  H   -0.001755  -0.008173  -0.002043   0.011066  -0.000735   0.000200
    17  H   -0.056530  -0.016711   0.001061  -0.000097   0.000272   0.007932
    18  H   -0.015081   0.000369   0.001859   0.011006  -0.000967   0.000573
    19  H    0.017239   0.004873  -0.001750  -0.003817  -0.000093  -0.000498
              13         14         15         16         17         18
     1  C    0.003944   0.007405  -0.009547  -0.020506   0.336302   0.163302
     2  C   -0.058656   0.050253   0.137402   0.151169   0.064192   0.141487
     3  C    0.300149  -0.042193   0.021795  -0.054483  -0.002227  -0.044478
     4  C   -0.080459  -0.028914   0.009478   0.048856  -0.031643   0.062472
     5  O   -0.008999  -0.000325  -0.006020   0.012127   0.000552  -0.015944
     6  C   -0.002931   0.355629   0.188481   0.135605  -0.001703  -0.015367
     7  N   -0.452324   0.004080  -0.000178  -0.001755  -0.056530  -0.015081
     8  O    0.024366   0.004475  -0.003232  -0.008173  -0.016711   0.000369
     9  H    0.033960   0.023779  -0.001574  -0.002043   0.001061   0.001859
    10  H    0.031268  -0.028885   0.020386   0.011066  -0.000097   0.011006
    11  H    0.001701  -0.000487   0.000468  -0.000735   0.000272  -0.000967
    12  H    0.126719  -0.000564  -0.000157   0.000200   0.007932   0.000573
    13  H    1.001273   0.000053   0.000407  -0.000087   0.030188   0.000378
    14  H    0.000053   0.740965  -0.076353  -0.039307  -0.002905  -0.002877
    15  H    0.000407  -0.076353   0.766769  -0.010184   0.003026  -0.013505
    16  H   -0.000087  -0.039307  -0.010184   0.681201  -0.000603   0.031814
    17  H    0.030188  -0.002905   0.003026  -0.000603   0.832124  -0.001840
    18  H    0.000378  -0.002877  -0.013505   0.031814  -0.001840   0.698716
    19  H   -0.003197   0.004320   0.011334  -0.024670  -0.099681  -0.038036
              19
     1  C    0.204589
     2  C    0.132210
     3  C    0.014509
     4  C   -0.008534
     5  O    0.001956
     6  C   -0.004885
     7  N    0.017239
     8  O    0.004873
     9  H   -0.001750
    10  H   -0.003817
    11  H   -0.000093
    12  H   -0.000498
    13  H   -0.003197
    14  H    0.004320
    15  H    0.011334
    16  H   -0.024670
    17  H   -0.099681
    18  H   -0.038036
    19  H    0.796853
 Mulliken charges:
               1
     1  C    0.837970
     2  C   -1.495200
     3  C    0.078441
     4  C    0.617448
     5  O   -0.357438
     6  C    0.877994
     7  N   -0.099365
     8  O   -0.457143
     9  H   -0.114648
    10  H   -0.259890
    11  H    0.204724
    12  H    0.059609
    13  H    0.052245
    14  H    0.031852
    15  H   -0.038796
    16  H    0.090510
    17  H   -0.061710
    18  H    0.036119
    19  H   -0.002722
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.809657
     2  C   -1.755090
     3  C   -0.036207
     4  C    0.617448
     5  O   -0.152715
     6  C    0.961560
     7  N    0.012490
     8  O   -0.457143
 Electronic spatial extent (au):  <R**2>=            996.8139
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2169    Y=             -1.2630    Z=             -0.6860  Tot=              1.4535
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.6771   YY=            -49.5655   ZZ=            -51.9060
   XY=              0.8469   XZ=              3.0734   YZ=             -1.4155
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0391   YY=              0.1507   ZZ=             -2.1898
   XY=              0.8469   XZ=              3.0734   YZ=             -1.4155
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.0508  YYY=             -3.1458  ZZZ=             -5.0530  XYY=            -17.2314
  XXY=            -10.0991  XXZ=             -2.8582  XZZ=             -2.8102  YZZ=             -3.2131
  YYZ=              8.6572  XYZ=             10.3235
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -574.4833 YYYY=           -427.5107 ZZZZ=           -247.8994 XXXY=             31.1546
 XXXZ=              1.3291 YYYX=              4.6094 YYYZ=              4.1895 ZZZX=              4.7210
 ZZZY=             -1.3703 XXYY=           -153.6587 XXZZ=           -149.8539 YYZZ=           -116.5077
 XXYZ=            -16.6973 YYXZ=              0.2701 ZZXY=             -2.1628
 N-N= 4.110358899506D+02 E-N=-1.758790584226D+03  KE= 3.977972721580D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:39:46 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6696    0.6702        0.2323    0.2331
 2     -0.6696   -0.6702       -0.9181   -0.9175        0.6733    0.6724
 3     -0.2323   -0.2331        3.5206    3.5212        0.9169    0.9175
 4      0.9181    0.9175       -0.0000    0.0000       -0.2331   -0.2331
 5     -4.1939   -4.1936        0.2331    0.2331        0.6699    0.6702
 6     -0.9169   -0.9175       -0.6699   -0.6702       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.0105   -2.0105        0.6994    0.6994
 2      2.7526    2.7526        0.0000    0.0000        0.6994    0.6994
 3      2.7526    2.7526       -2.0105   -2.0105       -0.0000    0.0000
 4     -2.0105   -2.0105       -2.7526   -2.7526        2.0171    2.0171
 5     -0.6994   -0.6994       10.5636   10.5636        2.7526    2.7526
 6    -12.5807  -12.5807        0.6994    0.6994        2.0105    2.0105
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3506    0.0000       -5.7542   -2.6807       -2.6631   -0.9325
 2      2.7917    2.6807        4.4886    3.6702       -2.3204   -2.6895
 3      1.3964    0.9325      -12.9916  -14.0848       -3.3192   -3.6702
 4     -3.8340   -3.6702       -0.0980    0.0000        1.0811    0.9325
 5     16.4128   16.7743       -1.3727   -0.9325       -2.7204   -2.6807
 6      3.7588    3.6702        2.7257    2.6807        0.0272    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1759    0.0000       10.5503   10.0767       -9.7905  -10.9957
 2     -9.8261  -10.0767       -0.8049   -1.6093        1.8159    1.0910
 3     12.3565   10.9957       17.1724    9.8017        5.3118    1.6093
 4      1.3250    1.6093       -0.2620    0.0000       10.9730   10.9957
 5    -11.2000  -10.8927      -12.4373  -10.9957        9.7224   10.0767
 6     -1.0281   -1.6093      -10.1618  -10.0767       -1.1336    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.6784   -1.2510       23.9273   23.8549       32.4689   33.2203
 2     -4.7363   -4.6110       38.7366   38.8954       33.6957   33.2203
 3     -4.5384   -4.6110       23.1838   23.8549       47.3285   48.1735
 4    -14.8971  -15.0405        3.5486    3.3601        8.9875    8.4917
 5     16.9589   14.9532       22.0448   12.0670        1.9818   -3.3601
 6    -20.2524  -20.5586      -15.7689  -14.9532       14.5078   15.0405
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.7908                 0.5494                 0.3959
  Dep-P Fr= 1--      0.7499                 0.7490                 0.7086
  Dep-U Fr= 1--      0.8571                 0.8565                 0.8295
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.1130                 0.0784                 0.0547
 AlphaG Fr= 1--      0.0000                -0.0002                -0.0003
 Gamma2 Fr= 1--     -0.0053                 0.0088                 0.1167
 Delta2 Fr= 1--      0.0495                -0.0129                 0.0951
 Raman1 Fr= 1--       3.163                  2.198                  1.584
 ROA1   Fr= 1--       1.077                  0.429                 14.248
 CID1   Fr= 1--       0.340                  0.195                  8.997
 Raman2 Fr= 1--       1.356                  0.941                  0.657
 ROA2   Fr= 1--      -0.523                  0.315                  2.040
 CID2   Fr= 1--      -0.386                  0.334                  3.106
 Raman3 Fr= 1--       2.711                  1.882                  1.314
 ROA3   Fr= 1--       1.077                  0.429                 14.248
 CID3   Fr= 1--       0.397                  0.228                 10.846
 RC180  Fr= 1--       0.714                  0.713                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.0645                 0.1124                 0.6595
  Dep-P Fr= 1--      0.7334                 0.2301                 0.3270
  Dep-U Fr= 1--      0.8462                 0.3742                 0.4929
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0062
 Beta2  Fr= 1--      0.0091                 0.0070                 0.0542
 AlphaG Fr= 1--      0.0000                 0.0040                 0.0076
 Gamma2 Fr= 1--     -0.1190                 0.0746                -0.1309
 Delta2 Fr= 1--     -0.0067                 0.0158                -0.0947
 Raman1 Fr= 1--       0.258                  0.450                  2.638
 ROA1   Fr= 1--     -11.636                  7.664                -15.593
 CID1   Fr= 1--     -45.122                 17.049                 -5.911
 Raman2 Fr= 1--       0.109                  0.084                  0.650
 ROA2   Fr= 1--      -2.802                  1.664                 -2.383
 CID2   Fr= 1--     -25.676                 19.785                 -3.666
 Raman3 Fr= 1--       0.218                  0.168                  1.300
 ROA3   Fr= 1--     -11.636                  7.664                -15.593
 CID3   Fr= 1--     -53.321                 45.565                -11.994
 RC180  Fr= 1--       0.692                 -0.252                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.2546                 0.3971                 0.8939
  Dep-P Fr= 1--      0.1431                 0.3772                 0.7278
  Dep-U Fr= 1--      0.2503                 0.5478                 0.8424
 Alpha2 Fr= 1--      0.0040                 0.0032                 0.0003
 Beta2  Fr= 1--      0.0106                 0.0363                 0.1255
 AlphaG Fr= 1--     -0.0076                 0.0001                -0.0018
 Gamma2 Fr= 1--      0.1812                -0.1601                -0.1779
 Delta2 Fr= 1--      0.0576                -0.0201                 0.1276
 Raman1 Fr= 1--       1.019                  1.589                  3.576
 ROA1   Fr= 1--      19.242                -16.011                -12.998
 CID1   Fr= 1--      18.891                -10.079                 -3.635
 Raman2 Fr= 1--       0.127                  0.435                  1.506
 ROA2   Fr= 1--       3.889                 -3.681                 -5.291
 CID2   Fr= 1--      30.504                 -8.461                 -3.513
 Raman3 Fr= 1--       0.255                  0.870                  3.012
 ROA3   Fr= 1--      19.242                -16.011                -12.998
 CID3   Fr= 1--      75.464                -18.399                 -4.315
 RC180  Fr= 1--      -0.499                  0.096                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      0.9141                 0.6439                 3.0590
  Dep-P Fr= 1--      0.5931                 0.5712                 0.1069
  Dep-U Fr= 1--      0.7446                 0.7271                 0.1931
 Alpha2 Fr= 1--      0.0027                 0.0022                 0.0527
 Beta2  Fr= 1--      0.1134                 0.0780                 0.0985
 AlphaG Fr= 1--      0.0059                 0.0056                -0.0075
 Gamma2 Fr= 1--      0.2767                 0.1829                 0.4262
 Delta2 Fr= 1--     -0.0282                 0.0368                 0.1051
 Raman1 Fr= 1--       3.656                  2.576                 12.236
 ROA1   Fr= 1--      25.661                 18.731                 44.276
 CID1   Fr= 1--       7.018                  7.272                  3.619
 Raman2 Fr= 1--       1.361                  0.936                  1.181
 ROA2   Fr= 1--       6.866                  4.094                  9.388
 CID2   Fr= 1--       5.044                  4.372                  7.946
 Raman3 Fr= 1--       2.722                  1.873                  2.363
 ROA3   Fr= 1--      25.661                 18.731                 44.276
 CID3   Fr= 1--       9.426                 10.002                 18.738
 RC180  Fr= 1--       0.489                  0.454                 -0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.4604                 3.3053                12.5089
  Dep-P Fr= 1--      0.7034                 0.2632                 0.0427
  Dep-U Fr= 1--      0.8259                 0.4167                 0.0819
 Alpha2 Fr= 1--      0.0004                 0.0377                 0.2514
 Beta2  Fr= 1--      0.0634                 0.2295                 0.1708
 AlphaG Fr= 1--     -0.0055                -0.0378                 0.0605
 Gamma2 Fr= 1--     -0.4366                -0.9397                 0.2531
 Delta2 Fr= 1--      0.1413                -0.2491                -0.3035
 Raman1 Fr= 1--       1.841                 13.221                 50.036
 ROA1   Fr= 1--     -37.390                -98.181                 14.583
 CID1   Fr= 1--     -20.304                 -7.426                  0.291
 Raman2 Fr= 1--       0.760                  2.754                  2.049
 ROA2   Fr= 1--     -11.609                -20.559                  8.501
 CID2   Fr= 1--     -15.267                 -7.464                  4.149
 Raman3 Fr= 1--       1.521                  5.509                  4.098
 ROA3   Fr= 1--     -37.390                -98.181                 14.583
 CID3   Fr= 1--     -24.585                -17.822                  3.558
 RC180  Fr= 1--       0.652                 -0.167                 -0.836
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      5.7399                 1.6098                 1.5501
  Dep-P Fr= 1--      0.0770                 0.7158                 0.6867
  Dep-U Fr= 1--      0.1429                 0.8343                 0.8142
 Alpha2 Fr= 1--      0.1063                 0.0010                 0.0017
 Beta2  Fr= 1--      0.1367                 0.2238                 0.2104
 AlphaG Fr= 1--     -0.0633                -0.0003                -0.0108
 Gamma2 Fr= 1--     -0.0229                -0.4730                 0.0260
 Delta2 Fr= 1--      0.8913                -0.2623                 0.0773
 Raman1 Fr= 1--      22.960                  6.439                  6.201
 ROA1   Fr= 1--      26.321                -53.800                  4.971
 CID1   Fr= 1--       1.146                 -8.355                  0.802
 Raman2 Fr= 1--       1.641                  2.686                  2.524
 ROA2   Fr= 1--      -7.681                 -9.253                  0.005
 CID2   Fr= 1--      -4.681                 -3.445                  0.002
 Raman3 Fr= 1--       3.282                  5.372                  5.049
 ROA3   Fr= 1--      26.321                -53.800                  4.971
 CID3   Fr= 1--       8.020                -10.014                  0.985
 RC180  Fr= 1--      -0.714                  0.669                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.6640                 5.9682                 2.1074
  Dep-P Fr= 1--      0.7398                 0.7221                 0.7035
  Dep-U Fr= 1--      0.8504                 0.8387                 0.8260
 Alpha2 Fr= 1--      0.0001                 0.0029                 0.0017
 Beta2  Fr= 1--      0.0941                 0.8342                 0.2901
 AlphaG Fr= 1--     -0.0013                -0.0038                 0.0002
 Gamma2 Fr= 1--     -0.7775                -0.6896                 0.1886
 Delta2 Fr= 1--     -0.4698                 0.4559                 0.3053
 Raman1 Fr= 1--       2.656                 23.873                  8.430
 ROA1   Fr= 1--     -89.679                -51.613                 27.876
 CID1   Fr= 1--     -33.762                 -2.162                  3.307
 Raman2 Fr= 1--       1.129                 10.011                  3.481
 ROA2   Fr= 1--     -14.902                -20.197                  2.084
 CID2   Fr= 1--     -13.194                 -2.018                  0.599
 Raman3 Fr= 1--       2.259                 20.021                  6.962
 ROA3   Fr= 1--     -89.679                -51.613                 27.876
 CID3   Fr= 1--     -39.700                 -2.578                  4.004
 RC180  Fr= 1--       0.701                  0.677                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      3.8463                 1.1018                 1.5751
  Dep-P Fr= 1--      0.6876                 0.3910                 0.6982
  Dep-U Fr= 1--      0.8149                 0.5622                 0.8223
 Alpha2 Fr= 1--      0.0042                 0.0084                 0.0014
 Beta2  Fr= 1--      0.5224                 0.1032                 0.2159
 AlphaG Fr= 1--      0.0066                 0.0160                -0.0045
 Gamma2 Fr= 1--     -0.1680                -0.0701                 0.2079
 Delta2 Fr= 1--      0.1903                -0.2017                -0.3888
 Raman1 Fr= 1--      15.385                  4.407                  6.301
 ROA1   Fr= 1--     -10.036                -13.181                  7.522
 CID1   Fr= 1--      -0.652                 -2.991                  1.194
 Raman2 Fr= 1--       6.268                  1.239                  2.590
 ROA2   Fr= 1--      -5.553                 -0.068                  8.100
 CID2   Fr= 1--      -0.886                 -0.055                  3.127
 Raman3 Fr= 1--      12.537                  2.478                  5.181
 ROA3   Fr= 1--     -10.036                -13.181                  7.522
 CID3   Fr= 1--      -0.801                 -5.320                  1.452
 RC180  Fr= 1--       0.630                  0.124                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      0.8220                 3.1860                 0.8150
  Dep-P Fr= 1--      0.5174                 0.5776                 0.5448
  Dep-U Fr= 1--      0.6819                 0.7323                 0.7053
 Alpha2 Fr= 1--      0.0037                 0.0103                 0.0032
 Beta2  Fr= 1--      0.0934                 0.3888                 0.0958
 AlphaG Fr= 1--     -0.0146                 0.0030                 0.0099
 Gamma2 Fr= 1--      0.5981                 0.1780                -0.1960
 Delta2 Fr= 1--      0.4420                -0.2334                 0.0088
 Raman1 Fr= 1--       3.288                 12.744                  3.260
 ROA1   Fr= 1--      71.561                  9.617                -18.539
 CID1   Fr= 1--      21.763                  0.755                 -5.687
 Raman2 Fr= 1--       1.121                  4.666                  1.150
 ROA2   Fr= 1--      10.819                  6.139                 -4.775
 CID2   Fr= 1--       9.649                  1.316                 -4.154
 Raman3 Fr= 1--       2.242                  9.332                  2.299
 ROA3   Fr= 1--      71.561                  9.617                -18.539
 CID3   Fr= 1--      31.914                  1.031                 -8.063
 RC180  Fr= 1--       0.364                  0.465                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--      8.5531                 2.6948                 3.5065
  Dep-P Fr= 1--      0.5306                 0.4411                 0.7142
  Dep-U Fr= 1--      0.6934                 0.6122                 0.8332
 Alpha2 Fr= 1--      0.0363                 0.0171                 0.0022
 Beta2  Fr= 1--      0.9884                 0.2750                 0.4870
 AlphaG Fr= 1--     -0.0197                -0.0070                -0.0044
 Gamma2 Fr= 1--     -1.9225                 0.5634                 1.3288
 Delta2 Fr= 1--      1.0440                -0.6193                 1.0914
 Raman1 Fr= 1--      34.212                 10.779                 14.026
 ROA1   Fr= 1--    -151.150                 34.269                162.487
 CID1   Fr= 1--      -4.418                  3.179                 11.585
 Raman2 Fr= 1--      11.861                  3.299                  5.844
 ROA2   Fr= 1--     -54.492                 18.477                 23.160
 CID2   Fr= 1--      -4.594                  5.600                  3.963
 Raman3 Fr= 1--      23.721                  6.599                 11.687
 ROA3   Fr= 1--    -151.150                 34.269                162.487
 CID3   Fr= 1--      -6.372                  5.193                 13.903
 RC180  Fr= 1--       0.387                  0.224                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      3.6289                 0.1804                 0.9602
  Dep-P Fr= 1--      0.7468                 0.5751                 0.7027
  Dep-U Fr= 1--      0.8551                 0.7303                 0.8254
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0008
 Beta2  Fr= 1--      0.5172                 0.0220                 0.1321
 AlphaG Fr= 1--      0.0023                -0.0020                 0.0044
 Gamma2 Fr= 1--      1.2157                 0.0466                 0.6479
 Delta2 Fr= 1--     -0.7590                -0.0296                -0.2564
 Raman1 Fr= 1--      14.516                  0.722                  3.841
 ROA1   Fr= 1--      92.424                  3.526                 53.991
 CID1   Fr= 1--       6.367                  4.886                 14.058
 Raman2 Fr= 1--       6.206                  0.264                  1.585
 ROA2   Fr= 1--      35.250                  1.356                 17.600
 CID2   Fr= 1--       5.680                  5.144                 11.104
 Raman3 Fr= 1--      12.412                  0.527                  3.170
 ROA3   Fr= 1--      92.424                  3.526                 53.991
 CID3   Fr= 1--       7.446                  6.690                 17.031
 RC180  Fr= 1--       0.710                  0.461                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.9931                 4.2793                 3.7435
  Dep-P Fr= 1--      0.6809                 0.7375                 0.7406
  Dep-U Fr= 1--      0.8102                 0.8489                 0.8510
 Alpha2 Fr= 1--      0.0024                 0.0009                 0.0006
 Beta2  Fr= 1--      0.2691                 0.6054                 0.5309
 AlphaG Fr= 1--      0.0007                -0.0039                -0.0055
 Gamma2 Fr= 1--     -0.2128                -0.2344                 0.1631
 Delta2 Fr= 1--      0.0193                -0.1582                 0.2565
 Raman1 Fr= 1--       7.973                 17.117                 14.974
 ROA1   Fr= 1--     -19.814                -27.569                 23.869
 CID1   Fr= 1--      -2.485                 -1.611                  1.594
 Raman2 Fr= 1--       3.230                  7.265                  6.371
 ROA2   Fr= 1--      -5.262                 -4.361                  1.863
 CID2   Fr= 1--      -1.629                 -0.600                  0.292
 Raman3 Fr= 1--       6.459                 14.531                 12.743
 ROA3   Fr= 1--     -19.814                -27.569                 23.869
 CID3   Fr= 1--      -3.068                 -1.897                  1.873
 RC180  Fr= 1--       0.620                  0.698                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      8.5208                 1.2692                 2.2125
  Dep-P Fr= 1--      0.6448                 0.6407                 0.6848
  Dep-U Fr= 1--      0.7840                 0.7810                 0.8129
 Alpha2 Fr= 1--      0.0161                 0.0025                 0.0025
 Beta2  Fr= 1--      1.1135                 0.1652                 0.2998
 AlphaG Fr= 1--     -0.0195                -0.0008                -0.0014
 Gamma2 Fr= 1--      0.5110                -0.1382                -0.1614
 Delta2 Fr= 1--      0.8117                 0.1494                 0.1278
 Raman1 Fr= 1--      34.083                  5.077                  8.850
 ROA1   Fr= 1--      75.032                 -8.482                -11.404
 CID1   Fr= 1--       2.201                 -1.671                 -1.289
 Raman2 Fr= 1--      13.361                  1.982                  3.597
 ROA2   Fr= 1--       5.771                 -4.511                 -4.896
 CID2   Fr= 1--       0.432                 -2.275                 -1.361
 Raman3 Fr= 1--      26.723                  3.965                  7.195
 ROA3   Fr= 1--      75.032                 -8.482                -11.404
 CID3   Fr= 1--       2.808                 -2.139                 -1.585
 RC180  Fr= 1--       0.568                  0.562                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--     12.0052               131.8468                84.2958
  Dep-P Fr= 1--      0.1399                 0.2331                 0.0286
  Dep-U Fr= 1--      0.2454                 0.3781                 0.0557
 Alpha2 Fr= 1--      0.1904                 1.6374                 1.7515
 Beta2  Fr= 1--      0.4911                 8.3091                 0.7826
 AlphaG Fr= 1--     -0.0558                -0.1931                -0.0321
 Gamma2 Fr= 1--     -0.3486                -7.5774                 3.2635
 Delta2 Fr= 1--      0.1374                -5.2664                 2.1348
 Raman1 Fr= 1--      48.021                527.387                337.183
 ROA1   Fr= 1--     -29.068               -895.956                381.605
 CID1   Fr= 1--      -0.605                 -1.699                  1.132
 Raman2 Fr= 1--       5.893                 99.709                  9.391
 ROA2   Fr= 1--      -9.466               -139.726                 61.245
 CID2   Fr= 1--      -1.606                 -1.401                  6.522
 Raman3 Fr= 1--      11.786                199.418                 18.782
 ROA3   Fr= 1--     -29.068               -895.956                381.605
 CID3   Fr= 1--      -2.466                 -4.493                 20.317
 RC180  Fr= 1--      -0.509                 -0.244                 -0.889
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    217.0661                88.4895                10.3437
  Dep-P Fr= 1--      0.0273                 0.1260                 0.6690
  Dep-U Fr= 1--      0.0531                 0.2239                 0.8016
 Alpha2 Fr= 1--      4.5249                 1.4529                 0.0149
 Beta2  Fr= 1--      1.9211                 3.3016                 1.3820
 AlphaG Fr= 1--     -0.3972                 0.6776                 0.0026
 Gamma2 Fr= 1--     -0.4354                 8.2878                 0.2513
 Delta2 Fr= 1--     -0.4920                 5.5246                -0.0855
 Raman1 Fr= 1--     868.265                353.958                 41.375
 ROA1   Fr= 1--     -57.546                972.415                 21.391
 CID1   Fr= 1--      -0.066                  2.747                  0.517
 Raman2 Fr= 1--      23.053                 39.619                 16.584
 ROA2   Fr= 1--      -6.515                154.711                  6.716
 CID2   Fr= 1--      -0.283                  3.905                  0.405
 Raman3 Fr= 1--      46.105                 79.239                 33.168
 ROA3   Fr= 1--     -57.546                972.415                 21.391
 CID3   Fr= 1--      -1.248                 12.272                  0.645
 RC180  Fr= 1--      -0.894                 -0.552                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     70.5240                82.8514                45.1621
  Dep-P Fr= 1--      0.7500                 0.6292                 0.5740
  Dep-U Fr= 1--      0.8571                 0.7724                 0.7294
 Alpha2 Fr= 1--      0.0001                 0.1821                 0.1496
 Beta2  Fr= 1--     10.0745                10.6654                 5.4901
 AlphaG Fr= 1--      0.0046                -0.0898                 0.2150
 Gamma2 Fr= 1--    -13.6754                 9.5214                 1.2192
 Delta2 Fr= 1--     -8.1236                 7.2167                -1.1755
 Raman1 Fr= 1--     282.096                331.406                180.648
 ROA1   Fr= 1--   -1572.796               1144.988                 79.426
 CID1   Fr= 1--      -5.575                  3.455                  0.440
 Raman2 Fr= 1--     120.894                127.984                 65.881
 ROA2   Fr= 1--    -263.221                170.779                 38.665
 CID2   Fr= 1--      -2.177                  1.334                  0.587
 Raman3 Fr= 1--     241.788                255.969                131.762
 ROA3   Fr= 1--   -1572.796               1144.988                 79.426
 CID3   Fr= 1--      -6.505                  4.473                  0.603
 RC180  Fr= 1--       0.714                  0.545                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    111.8746                43.3049               128.6135
  Dep-P Fr= 1--      0.0904                 0.6599                 0.2276
  Dep-U Fr= 1--      0.1659                 0.7951                 0.3709
 Alpha2 Fr= 1--      2.0051                 0.0697                 1.6214
 Beta2  Fr= 1--      3.0924                 5.7386                 7.9498
 AlphaG Fr= 1--      0.2084                 0.0829                -0.0018
 Gamma2 Fr= 1--      0.4726                 0.3523                -1.3463
 Delta2 Fr= 1--     -0.4690                 1.5631                -0.9240
 Raman1 Fr= 1--     447.498                173.220                514.454
 ROA1   Fr= 1--      30.361                 83.841               -158.813
 CID1   Fr= 1--       0.068                  0.484                 -0.309
 Raman2 Fr= 1--      37.109                 68.863                 95.397
 ROA2   Fr= 1--      15.094                 -4.049                -24.920
 CID2   Fr= 1--       0.407                 -0.059                 -0.261
 Raman3 Fr= 1--      74.218                137.726                190.795
 ROA3   Fr= 1--      30.361                 83.841               -158.813
 CID3   Fr= 1--       0.409                  0.609                 -0.832
 RC180  Fr= 1--      -0.668                  0.590                 -0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
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     X                 X                                               X                    XXX      X X       X                     
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.800420D+02  0.466248D+00 -0.134036D+01
      2   0.466248D+00  0.813867D+02  0.183509D+01
      3  -0.134036D+01  0.183509D+01  0.729996D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.189848D+01 -0.305309D+01 -0.107495D+01
      2   0.140488D+02 -0.244396D+01  0.248866D+02
      3   0.111517D+02 -0.264959D+02  0.300239D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.738665D+02 -0.248649D+02  0.259608D+02
      2  -0.375587D+02  0.108344D+02 -0.222127D+02
      3  -0.363078D+02  0.140305D+02 -0.374806D+01
      4  -0.161113D+02  0.341571D+02  0.403113D+01
      5   0.195253D+02  0.343524D+01  0.387682D+02
      6   0.887284D+01 -0.136950D+02  0.774356D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.589214D+01  0.213433D+01 -0.356819D+01  0.248202D+01  0.914340D+00
      2   0.213433D+01  0.104102D+01  0.104108D-01  0.914340D+00 -0.608096D+01
      3  -0.356819D+01  0.104108D-01  0.177819D+01  0.213703D+00 -0.751721D+00
                 6             7             8             9            10 
      1   0.213703D+00 -0.269539D+01  0.901544D-01  0.231841D+01  0.538988D+01
      2  -0.751721D+00  0.901544D-01 -0.542737D-01  0.303607D+01 -0.316883D+01
      3   0.262772D+01  0.231841D+01  0.303607D+01  0.491372D+00  0.299897D+01
                11            12            13            14            15 
      1  -0.316883D+01  0.299897D+01 -0.450975D+01 -0.177437D+01  0.729985D+00
      2  -0.116212D+01  0.201046D+00 -0.177437D+01  0.377929D+01  0.100385D+01
      3   0.201046D+00 -0.261091D+01  0.729985D+00  0.100385D+01 -0.364784D+01
                16            17            18            19            20 
      1   0.556200D+01  0.132783D+00 -0.306722D+01 -0.584896D+01  0.413499D+01
      2   0.132783D+00  0.942030D+00 -0.405685D+01  0.413499D+01  0.132752D+01
      3  -0.306722D+01 -0.405685D+01 -0.750659D+00 -0.186914D+01 -0.771431D+00
                21            22            23            24            25 
      1  -0.186914D+01  0.223951D+01  0.104294D+01 -0.517687D-01 -0.287486D+01
      2  -0.771431D+00  0.104294D+01 -0.159502D+01  0.660995D+00 -0.104340D+01
      3   0.102629D+01 -0.517687D-01  0.660995D+00  0.285838D+01  0.119854D+01
                26            27            28            29            30 
      1  -0.104340D+01  0.119854D+01  0.642406D+00 -0.204866D+01 -0.154506D+00
      2  -0.580699D+00  0.321778D+01 -0.204866D+01  0.105504D+01  0.114166D+01
      3   0.321778D+01  0.381424D+01 -0.154506D+00  0.114166D+01  0.413007D+00
                31            32            33            34            35 
      1  -0.176295D+01 -0.527614D+00  0.219705D+01 -0.275948D+01  0.159078D+01
      2  -0.527614D+00 -0.521276D+00  0.867458D+00  0.159078D+01 -0.328386D-01
      3   0.219705D+01  0.867458D+00 -0.282831D+01  0.113161D+01 -0.224365D+01
                36            37            38            39            40 
      1   0.113161D+01  0.407556D+01  0.596498D+00 -0.267749D+01  0.417999D-01
      2  -0.224365D+01  0.596498D+00  0.153951D+01 -0.134337D+01  0.783347D+00
      3  -0.324833D+01 -0.267749D+01 -0.134337D+01  0.920655D+00 -0.173349D+01
                41            42            43            44            45 
      1   0.783347D+00 -0.173349D+01 -0.394712D+01 -0.273993D+01  0.483312D+00
      2  -0.356055D+01 -0.209926D+01 -0.273993D+01 -0.379220D+01 -0.250679D+00
      3  -0.209926D+01  0.250001D+00  0.483312D+00 -0.250679D+00 -0.254048D+01
                46            47            48            49            50 
      1  -0.532900D+01  0.288698D+01 -0.211898D+01  0.191667D+01  0.193675D+01
      2   0.288698D+01  0.154294D+01  0.795449D-02  0.193675D+01 -0.301026D+01
      3  -0.211898D+01  0.795449D-02  0.260744D+01 -0.186772D+00 -0.507012D+00
                51            52            53            54            55 
      1  -0.186772D+00 -0.224481D+01 -0.108135D+00  0.228766D+01  0.432263D+01
      2  -0.507012D+00 -0.108135D+00  0.444407D-01  0.418021D+01 -0.175655D+01
      3   0.364715D+01  0.228766D+01  0.418021D+01  0.296925D+01  0.218302D+01
                56            57            58            59            60 
      1  -0.175655D+01  0.218302D+01 -0.694519D+00  0.555068D+00 -0.409255D+00
      2   0.179947D+01 -0.371059D+00  0.555068D+00  0.368613D+01 -0.161339D+01
      3  -0.371059D+00  0.171142D+01 -0.409255D+00 -0.161339D+01 -0.116492D+01
                61            62            63            64            65 
      1   0.222524D+01 -0.474698D+00  0.155984D+01 -0.387530D+01  0.171920D+01
      2  -0.474698D+00 -0.220073D+01 -0.846042D+00  0.171920D+01 -0.191286D+01
      3   0.155984D+01 -0.846042D+00 -0.317812D+01  0.304949D+01 -0.680688D+00
                66            67            68            69            70 
      1   0.304949D+01  0.290271D+01 -0.125564D+01 -0.120229D+01  0.488401D+01
      2  -0.680688D+00 -0.125564D+01  0.379724D+01  0.171929D+01 -0.449472D+00
      3  -0.188098D+01 -0.120229D+01  0.171929D+01  0.245489D+01 -0.288477D+01
                71            72            73            74            75 
      1  -0.449472D+00 -0.288477D+01  0.319171D+00 -0.783096D+00 -0.101481D+01
      2   0.320468D+01  0.200951D+01 -0.783096D+00 -0.222278D+00 -0.554658D-01
      3   0.200951D+01  0.778878D+01 -0.101481D+01 -0.554658D-01 -0.625633D+00
                76            77            78            79            80 
      1  -0.117040D+01 -0.307748D+00 -0.147486D+00 -0.111045D+01  0.666167D-01
      2  -0.307748D+00 -0.920315D+00 -0.153190D+01  0.666167D-01 -0.175702D+01
      3  -0.147486D+00 -0.153190D+01 -0.195443D+01 -0.895692D+00 -0.152958D+01
                81            82            83            84            85 
      1  -0.895692D+00  0.307345D+01  0.152379D+01 -0.245686D+01  0.239620D+01
      2  -0.152958D+01  0.152379D+01  0.166264D+01 -0.663264D+00  0.163298D+01
      3  -0.730944D+01 -0.245686D+01 -0.663264D+00  0.252196D+01 -0.854302D+00
                86            87            88            89            90 
      1   0.163298D+01 -0.854302D+00 -0.345031D+01 -0.636882D+00  0.263281D+01
      2   0.139767D+01 -0.144377D+01 -0.636882D+00 -0.172704D+01  0.176310D+01
      3  -0.144377D+01  0.189758D+01  0.263281D+01  0.176310D+01 -0.387636D+01
                91            92            93            94            95 
      1  -0.470777D+01 -0.326020D+01  0.143876D+01 -0.210343D+01 -0.204297D+01
      2  -0.326020D+01 -0.334875D+01  0.104779D+01 -0.204297D+01 -0.332294D+01
      3   0.143876D+01  0.104779D+01 -0.138655D+01  0.726486D+00  0.758277D+00
                96            97            98            99           100 
      1   0.726486D+00  0.317274D+01  0.235064D+01 -0.188687D+01 -0.465195D+01
      2   0.758277D+00  0.235064D+01  0.273302D+01 -0.157710D+01  0.288403D+01
      3  -0.952128D+00 -0.188687D+01 -0.157710D+01  0.162620D+01 -0.265254D+01
               101           102           103           104           105 
      1   0.288403D+01 -0.265254D+01  0.175693D+01 -0.151903D+01  0.754068D+00
      2  -0.255067D+01  0.148313D+01 -0.151903D+01  0.200782D+01 -0.904126D+00
      3   0.148313D+01 -0.206563D+01  0.754068D+00 -0.904126D+00  0.803527D+00
               106           107           108           109           110 
      1  -0.313185D+01  0.137987D+01 -0.204753D+01  0.911555D-01  0.523742D+00
      2   0.137987D+01 -0.175092D+01  0.144604D+01  0.523742D+00 -0.422807D+00
      3  -0.204753D+01  0.144604D+01 -0.231605D+01  0.383133D+00 -0.484462D+00
               111           112           113           114           115 
      1   0.383133D+00  0.682694D+00 -0.333633D+00 -0.536236D+00  0.129413D+01
      2  -0.484462D+00 -0.333633D+00  0.250335D+01  0.118077D+01 -0.599933D+00
      3   0.811199D-01 -0.536236D+00  0.118077D+01  0.169148D+01  0.722900D-01
               116           117           118           119           120 
      1  -0.599933D+00  0.722900D-01 -0.651517D-01 -0.791153D+00 -0.728496D+00
      2   0.308330D+01  0.164873D+01 -0.791153D+00 -0.915569D+00 -0.470977D+00
      3   0.164873D+01  0.358839D+01 -0.728496D+00 -0.470977D+00 -0.109415D+01
               121           122           123           124           125 
      1  -0.677045D+00 -0.321112D+00 -0.102604D+00 -0.121071D+01  0.116455D+00
      2  -0.321112D+00 -0.226270D+01 -0.195397D+01  0.116455D+00 -0.334395D+01
      3  -0.102604D+00 -0.195397D+01 -0.235584D+01 -0.546215D+00 -0.331551D+01
               126           127           128           129           130 
      1  -0.546215D+00  0.892477D+01 -0.332199D+01  0.847432D+00 -0.160560D+01
      2  -0.331551D+01 -0.332199D+01  0.269640D+01 -0.128704D+00  0.154188D+01
      3  -0.621778D+01  0.847432D+00 -0.128704D+00  0.110369D+01 -0.103600D+00
               131           132           133           134           135 
      1   0.154188D+01 -0.103600D+00  0.118289D+01 -0.447933D+00  0.950216D+00
      2  -0.109492D+01  0.228626D+00 -0.447933D+00  0.572008D+00 -0.863120D+00
      3   0.228626D+00 -0.488558D+00  0.950216D+00 -0.863120D+00  0.176647D+00
               136           137           138           139           140 
      1  -0.371564D+01 -0.735154D+00  0.143304D+01 -0.733648D+00 -0.100238D+01
      2  -0.735154D+00 -0.213940D+01  0.717313D+00 -0.100238D+01 -0.278038D+01
      3   0.143304D+01  0.717313D+00 -0.168248D+01  0.454438D+00  0.139739D+01
               141           142           143           144           145 
      1   0.454438D+00  0.170237D+01  0.462501D+00 -0.117215D+01  0.453325D+00
      2   0.139739D+01  0.462501D+00  0.276303D+01 -0.203272D+01  0.818402D+00
      3  -0.166636D+01 -0.117215D+01 -0.203272D+01  0.256645D+01  0.352528D+00
               146           147           148           149           150 
      1   0.818402D+00  0.352528D+00  0.141359D+01  0.291923D+00  0.517687D+00
      2  -0.183943D+00  0.374613D-02  0.291923D+00  0.843231D+01  0.153081D+01
      3   0.374613D-02 -0.395466D+00  0.517687D+00  0.153081D+01  0.174126D+01
               151           152           153           154           155 
      1   0.675950D-01  0.645785D-01 -0.354564D+00 -0.207831D+01 -0.712210D+00
      2   0.645785D-01  0.587578D+00  0.754497D+00 -0.712210D+00 -0.110231D+01
      3  -0.354564D+00  0.754497D+00  0.234041D+00  0.126781D+01  0.373871D+00
               156           157           158           159           160 
      1   0.126781D+01 -0.111917D+01 -0.646813D+00  0.265863D+00  0.145438D+01
      2   0.373871D+00 -0.646813D+00 -0.528356D+00  0.101167D+01  0.358248D+00
      3  -0.271472D+01  0.265863D+00  0.101167D+01 -0.204613D+01 -0.134711D+01
               161           162           163           164           165 
      1   0.358248D+00 -0.134711D+01  0.887189D+01 -0.644119D+00  0.328682D+01
      2   0.107715D+01 -0.921476D+00 -0.644119D+00  0.129616D+01 -0.174990D-01
      3  -0.921476D+00  0.479041D+01  0.328682D+01 -0.174990D-01  0.229273D+01
               166           167           168           169           170 
      1  -0.145562D+01  0.103207D+01 -0.531480D+00  0.187962D+01 -0.112243D+00
      2   0.103207D+01  0.738736D-01  0.446013D+00 -0.112243D+00  0.232446D+00
      3  -0.531480D+00  0.446013D+00 -0.867474D+00  0.156743D+01 -0.419228D+00
               171 
      1   0.156743D+01
      2  -0.419228D+00
      3   0.139143D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.575757D+01  0.143390D+01 -0.107361D+01  0.220720D+00 -0.979300D+01
      2   0.111934D+00 -0.214645D+01  0.121348D+02 -0.229233D+01 -0.288222D+01
      3  -0.834928D+01 -0.268800D+01 -0.321485D+01  0.174550D+01  0.119083D+02
                 6             7             8             9            10 
      1  -0.659703D+01 -0.128594D+01 -0.683986D+00  0.339600D+01  0.135791D+01
      2   0.494326D+01  0.667724D+01  0.589542D+01 -0.205291D+01  0.103965D+02
      3   0.163393D+01 -0.226475D+01 -0.127148D+00 -0.393737D+01  0.462764D+01
                11            12            13            14            15 
      1  -0.170087D+00 -0.217821D+00 -0.145009D+01 -0.821990D+00 -0.359572D+01
      2  -0.596592D-01  0.459599D+00 -0.329577D+01  0.935630D+00 -0.391678D+01
      3  -0.978977D+00 -0.188811D+01  0.568089D+01 -0.650146D+01  0.599945D+00
                16            17            18            19            20 
      1  -0.682074D+00  0.315655D+01  0.138869D+01 -0.301706D+01 -0.247319D+01
      2  -0.354295D+01 -0.415214D+01 -0.280736D+01 -0.602265D+01  0.551845D+00
      3   0.250716D+01  0.139834D+00  0.482976D+01 -0.692036D+00 -0.236596D+01
                21            22            23            24            25 
      1  -0.477711D+00 -0.876667D+00  0.406657D+01 -0.289707D+01  0.146223D+00
      2   0.152193D+01  0.145577D+01 -0.934469D+00  0.200741D+01 -0.944730D+01
      3   0.184586D+01  0.314858D+01 -0.131946D+01  0.134551D+01 -0.168052D+01
                26            27            28            29            30 
      1   0.311027D+01 -0.463148D+01  0.104473D+01  0.484692D+01  0.227738D+01
      2   0.239292D+00 -0.326713D+00 -0.930035D+01 -0.287485D+01  0.179070D+01
      3   0.100057D+01  0.394290D+00 -0.797610D+01 -0.349584D+01  0.270617D+00
                31            32            33            34            35 
      1   0.246816D+01 -0.614224D+01 -0.106433D+01  0.134599D+01  0.679836D+00
      2   0.207279D+01  0.225148D+01 -0.138024D+01 -0.461640D+01 -0.162347D+01
      3   0.162819D+01  0.469629D+01 -0.502638D+01 -0.564987D+01 -0.112827D+02
                36            37            38            39            40 
      1   0.420788D+01 -0.339175D+01 -0.764210D+00  0.929636D-02 -0.490410D+00
      2   0.115613D+02  0.439787D+01  0.346023D+01 -0.147711D-01 -0.940295D+00
      3  -0.226586D+00 -0.402001D+01  0.751483D+00  0.906491D+00  0.587648D+01
                41            42            43            44            45 
      1   0.222249D+00 -0.482488D+01  0.330899D+01  0.395610D+01 -0.500770D+01
      2   0.291841D+01  0.104930D+01 -0.447723D+01  0.652674D+00  0.502074D+01
      3  -0.677315D+01 -0.176759D+01  0.219575D+01 -0.993829D+00 -0.285054D+01
                46            47            48            49            50 
      1  -0.521879D+01 -0.677464D+00  0.492984D+01 -0.962144D+00  0.937520D+00
      2  -0.618585D+01  0.680627D+00  0.544464D+01  0.269291D+00  0.790261D-01
      3   0.367766D+01 -0.122350D+02  0.369496D+01 -0.544459D+01  0.227777D+01
                51            52            53            54            55 
      1   0.539565D+01  0.312040D+01  0.114303D+02  0.451299D+01 -0.321340D+01
      2   0.594517D+01  0.114351D+01  0.728967D+01  0.560348D+01  0.541673D+01
      3   0.975271D+00  0.400625D+01  0.256379D+00 -0.118532D+02  0.933744D+01
                56            57            58            59            60 
      1   0.209315D+00 -0.524167D+01 -0.763156D-01 -0.191828D+01  0.206112D+00
      2  -0.100852D+01  0.470663D+01  0.342267D+00  0.183473D+01 -0.393434D+00
      3  -0.930444D+01  0.561243D+01  0.234662D+01  0.272049D+01 -0.877834D+00
                61            62            63            64            65 
      1  -0.444542D+01  0.963773D+01  0.922314D+01  0.460855D+00 -0.393378D+01
      2  -0.178086D+00  0.685098D+00  0.187069D+01  0.229063D-01  0.193802D+01
      3   0.313083D+01 -0.147357D+01  0.398830D+01  0.308309D+01 -0.561422D+01
                66            67            68            69            70 
      1   0.446563D+00 -0.792370D+00  0.360559D+01 -0.159373D+01 -0.377452D+00
      2   0.519115D+01  0.312210D+00 -0.449747D+01 -0.227504D+01 -0.244769D+01
      3  -0.115894D+01  0.204686D+01  0.510523D+01  0.432821D+01  0.492921D+01
                71            72            73            74            75 
      1   0.718474D+01 -0.168344D+00  0.123520D+01  0.523059D+00  0.331458D+00
      2  -0.288067D+01 -0.138491D+02 -0.284614D-02 -0.568515D+00 -0.173876D+00
      3   0.875327D+01  0.253791D+01  0.791737D-01 -0.110691D+01 -0.781342D+00
                76            77            78            79            80 
      1   0.238375D+00  0.215063D+01  0.115363D+01 -0.917156D-01  0.484251D+01
      2  -0.162189D+01 -0.125784D+00 -0.101478D+00 -0.297633D+01  0.334560D+00
      3   0.121973D+01 -0.410871D+00 -0.670970D+00  0.422615D+00 -0.552299D+00
                81            82            83            84            85 
      1   0.289172D+01 -0.585335D+00 -0.157261D+01 -0.319719D+00 -0.396792D+00
      2  -0.327049D-01 -0.119880D+01 -0.320551D-01  0.380245D+01  0.158096D+01
      3  -0.955949D+00 -0.143414D+01 -0.381827D+01  0.611621D+00  0.430526D+00
                86            87            88            89            90 
      1  -0.907097D+00 -0.792414D+00 -0.119410D+00  0.238892D+01 -0.157445D+00
      2  -0.982624D+00  0.278017D+01 -0.112614D+01  0.227747D+01 -0.436813D+01
      3  -0.233013D+01  0.173129D+01 -0.115722D+01  0.311124D+01 -0.180272D+01
                91            92            93            94            95 
      1   0.308269D+01  0.191812D+01 -0.294826D+01  0.222103D+01  0.224659D+01
      2  -0.275208D+01 -0.277260D+01  0.340577D+01 -0.171306D+01 -0.233582D+01
      3   0.166469D+01 -0.237672D+01 -0.663232D+00  0.102481D+01 -0.236944D+01
                96            97            98            99           100 
      1  -0.205425D+01 -0.289717D+01 -0.154964D+01  0.312760D+01  0.296197D+01
      2   0.242542D+01  0.271949D+01  0.296605D+01 -0.424310D+01 -0.515769D+01
      3   0.295211D+00 -0.107754D+01  0.248006D+01 -0.369288D+00 -0.102161D+02
               101           102           103           104           105 
      1   0.114721D+00  0.384210D+01 -0.184913D+00 -0.189450D+00 -0.140732D+01
      2   0.217066D+01 -0.543545D+00  0.164045D+01 -0.128177D+01  0.183541D+00
      3   0.389170D+01 -0.566560D+01  0.470428D+01 -0.211423D+01  0.140490D+01
               106           107           108           109           110 
      1   0.295045D+01 -0.296808D+00  0.284517D+01 -0.182740D+01  0.133601D+01
      2  -0.355934D+01  0.889899D+00 -0.936206D+00 -0.213719D+00  0.471212D+00
      3  -0.720825D+01  0.191176D+01 -0.399058D+01  0.508841D+00 -0.334696D+00
               111           112           113           114           115 
      1   0.625609D+00  0.156190D+01 -0.524360D+01 -0.559754D+01  0.580929D+00
      2   0.554525D-01  0.446105D+00 -0.975201D+00 -0.103776D+01 -0.129026D+01
      3   0.146098D+01  0.154846D+01 -0.390457D+00 -0.581513D+00  0.428801D+01
               116           117           118           119           120 
      1  -0.536938D+01 -0.125846D+02 -0.686576D+00  0.274452D+00 -0.227585D+01
      2  -0.113362D+01 -0.136280D+01 -0.167961D+01 -0.983608D+00 -0.144487D+01
      3  -0.200626D+00  0.404871D+00  0.238885D+01  0.208738D+01  0.191654D+01
               121           122           123           124           125 
      1  -0.381763D-01 -0.170434D+01 -0.485731D+01 -0.159992D+01 -0.141264D+01
      2  -0.109843D+01 -0.331756D+01 -0.376279D+01 -0.407377D+01 -0.478349D+01
      3   0.333531D+01  0.415839D+01  0.370781D+01  0.309799D+01  0.527664D+01
               126           127           128           129           130 
      1  -0.103518D+02  0.293377D+01 -0.881700D+00  0.282902D+01 -0.954685D+00
      2  -0.989983D+01  0.456238D+01 -0.115796D+01  0.488478D+01 -0.601629D+00
      3   0.709440D+01 -0.105120D+02 -0.236887D+01 -0.156423D+01  0.183853D+01
               131           132           133           134           135 
      1   0.806191D+00 -0.186090D+01  0.149620D+01 -0.637485D+00  0.862224D+00
      2   0.117066D+01 -0.137714D+01  0.118360D+01 -0.157989D+01  0.101804D+01
      3  -0.522939D+00 -0.340326D+00 -0.165688D+01 -0.809486D+00  0.393812D+00
               136           137           138           139           140 
      1   0.363180D+01  0.115188D+01 -0.425804D+01  0.140677D+01  0.312979D+01
      2   0.285128D+01  0.897139D+00 -0.161708D+01  0.118042D+01  0.210388D+01
      3   0.120076D+02  0.385642D+01 -0.448608D+01  0.514535D+01  0.633448D+01
               141           142           143           144           145 
      1  -0.507192D+01 -0.269871D+01 -0.250589D+01  0.609038D+01  0.874602D+00
      2  -0.218227D+01 -0.360321D+01 -0.307270D+01  0.340030D+01  0.107091D+01
      3  -0.386352D+01 -0.541022D+01 -0.509657D+01  0.612481D+01 -0.147582D+01
               146           147           148           149           150 
      1  -0.997197D+00  0.828306D+00 -0.118162D+01  0.111710D+02 -0.265124D+01
      2  -0.979783D+00 -0.491967D+00 -0.167752D+01  0.331122D+01  0.266393D+01
      3   0.694428D+00 -0.721807D-01  0.409662D+01 -0.153881D+02 -0.143944D+01
               151           152           153           154           155 
      1   0.892440D+00  0.881749D+00  0.876592D+00 -0.217942D+01 -0.293706D+01
      2  -0.179527D+01  0.126408D+01  0.494627D+00  0.879249D+01  0.215720D+01
      3  -0.265344D+00 -0.596101D+00 -0.203618D+01  0.276043D+00  0.385428D+00
               156           157           158           159           160 
      1   0.193487D+01 -0.122165D+01 -0.195988D+01  0.150615D+01  0.187635D+01
      2  -0.570668D+01  0.292229D+01  0.287252D+01 -0.384458D+01 -0.727671D+01
      3   0.453642D+00  0.148985D+01  0.171446D+00 -0.136265D+01  0.276416D+00
               161           162           163           164           165 
      1   0.428888D+01 -0.436351D+01 -0.322137D+01  0.259893D+01 -0.124176D+01
      2  -0.273319D+01  0.103885D+02 -0.577900D+01  0.117513D+01  0.309679D+01
      3  -0.878930D+00  0.419113D+00  0.679211D+01 -0.567464D+01  0.180457D+01
               166           167           168           169           170 
      1   0.117846D+01 -0.574324D+00  0.102224D+00 -0.128787D+01  0.159402D+01
      2   0.101837D+01 -0.144636D+00 -0.172669D+01 -0.133563D+01 -0.768121D+00
      3  -0.183948D+01  0.980912D+00 -0.761735D+00  0.151635D+01 -0.918446D+00
               171 
      1  -0.124059D+01
      2   0.119114D+01
      3   0.183520D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.263211D+02  0.913146D+01 -0.221844D+02  0.110356D+02  0.110468D+02
      2   0.224622D+02 -0.309084D+01  0.474860D+01 -0.549365D+01 -0.165509D+02
      3   0.385890D+01 -0.604062D+01  0.174358D+02 -0.554198D+01  0.550410D+01
      4   0.366799D+01  0.514070D+01 -0.152795D+01  0.450450D+01 -0.190893D+02
      5  -0.231870D+02  0.481122D+01 -0.359912D+01  0.663648D+01 -0.813181D+00
      6   0.204199D+01  0.270439D+01 -0.209375D+00  0.159286D+01 -0.105382D+02
                 6             7             8             9            10 
      1  -0.180801D+01 -0.173881D+02 -0.292422D+01  0.570288D+01  0.706508D+01
      2  -0.804147D+01  0.358154D+01 -0.587632D+01 -0.120644D+01 -0.270900D+01
      3   0.984947D+01  0.138065D+02  0.880054D+01 -0.449644D+01 -0.435608D+01
      4  -0.187729D+01 -0.640425D+00  0.339207D+00  0.108648D+02 -0.112518D+02
      5   0.692520D+01 -0.519442D+00  0.817873D+01  0.722070D+01  0.153909D+02
      6   0.775299D+00  0.139783D+01  0.104866D+01  0.759473D+01  0.569164D+01
                11            12            13            14            15 
      1  -0.108833D+02  0.115629D+02 -0.918573D+01 -0.261516D+01  0.301356D+01
      2   0.101318D+02 -0.717624D+01  0.991303D+01 -0.302525D+01 -0.142141D+01
      3   0.751479D+00 -0.438665D+01 -0.727302D+00  0.564040D+01 -0.159215D+01
      4  -0.267842D+01  0.234923D+01 -0.480374D+01  0.102628D+02  0.408922D+01
      5   0.263295D+01 -0.971574D+01  0.466843D+00  0.668952D+01 -0.115760D+02
      6  -0.355545D+00 -0.113283D+01  0.112993D+01 -0.207898D+01 -0.129555D+01
                16            17            18            19            20 
      1   0.108683D+02  0.129902D+01 -0.110475D+02 -0.927152D+01 -0.432951D+01
      2  -0.714794D+01 -0.232970D+01  0.834759D+01  0.693494D+01  0.523465D+01
      3  -0.372040D+01  0.103068D+01  0.269990D+01  0.233658D+01 -0.905135D+00
      4  -0.832421D+00  0.145085D+00 -0.116564D+02  0.978554D+00 -0.232660D+01
      5  -0.106331D+02 -0.120628D+02  0.158049D+01 -0.548129D+01 -0.232347D+00
      6  -0.233904D+01  0.344027D+00  0.100919D+01 -0.649877D+01 -0.334204D+01
                21            22            23            24            25 
      1   0.278978D+01  0.249200D+01  0.734749D+01  0.306561D+01  0.204991D+00
      2   0.163164D+01 -0.344206D+00 -0.829532D+01  0.577213D+01  0.176315D+01
      3  -0.442142D+01 -0.214779D+01  0.947831D+00 -0.883775D+01 -0.196814D+01
      4  -0.926101D-01 -0.677349D+01 -0.596417D+00  0.716036D+00  0.437288D+01
      5   0.740338D+00  0.380352D+01 -0.163286D+01  0.783581D+00  0.159983D+01
      6   0.147548D+01  0.116091D+01  0.672338D+01 -0.563281D+01 -0.636123D+00
                26            27            28            29            30 
      1   0.556894D+01  0.733658D+01 -0.191160D+01  0.175888D+01 -0.707580D+00
      2   0.445825D+01  0.951317D+01  0.199847D+01 -0.343929D+01 -0.704417D+01
      3  -0.100272D+02 -0.168497D+02 -0.868685D-01  0.168041D+01  0.775175D+01
      4   0.136323D+01 -0.159688D+01  0.337074D+01 -0.311384D+01 -0.729757D+01
      5  -0.147060D+01 -0.483676D+01  0.640453D+01 -0.661135D+01 -0.406643D+01
      6   0.676909D+00 -0.459209D+01 -0.323748D+01 -0.765539D+00  0.127687D+01
                31            32            33            34            35 
      1   0.535159D+01  0.479791D+01 -0.618816D+01  0.100045D+02 -0.354101D+01
      2  -0.626018D+01 -0.100530D+02  0.988911D+01 -0.910177D+01 -0.178797D+01
      3   0.908598D+00  0.525505D+01 -0.370095D+01 -0.902775D+00  0.532898D+01
      4  -0.560865D+01 -0.216511D+01 -0.371208D+01 -0.110471D+02  0.590936D+01
      5  -0.170121D+02 -0.322263D+01  0.396784D+01 -0.109917D+02  0.448592D+01
      6  -0.399466D+01 -0.677650D+01 -0.180746D+01 -0.714787D-01 -0.269584D+01
                36            37            38            39            40 
      1  -0.979507D+00 -0.118547D+01 -0.132205D+00  0.775742D+01 -0.198876D+01
      2   0.915247D+01 -0.219122D+00 -0.162998D+01 -0.203284D+01  0.152089D+01
      3  -0.817296D+01  0.140459D+01  0.176218D+01 -0.572458D+01  0.467874D+00
      4   0.610364D+01 -0.106653D+02 -0.711317D+00  0.115838D+02  0.644722D+01
      5   0.186008D+02  0.116075D+02  0.756145D+01  0.217848D+01  0.103582D+02
      6  -0.371010D+01  0.845556D+01  0.687503D+01 -0.166514D+01  0.643346D+01
                41            42            43            44            45 
      1  -0.145338D+02  0.283762D+01  0.116831D+02  0.539414D+01 -0.466019D+01
      2   0.246590D+02  0.477051D+00 -0.192814D+01  0.331231D+01 -0.747614D+00
      3  -0.101252D+02 -0.331467D+01 -0.975493D+01 -0.870645D+01  0.540780D+01
      4   0.109681D+02  0.944185D+01  0.184365D+02  0.157975D+02 -0.118914D+01
      5   0.100199D+02  0.282433D+01  0.270836D+01  0.236380D+01  0.108844D+02
      6   0.864623D+01  0.649809D+01 -0.176193D+01  0.637029D+01  0.871523D+01
                46            47            48            49            50 
      1  -0.257072D+02  0.199967D+02 -0.814595D+01  0.138517D+02  0.106480D+01
      2   0.655179D+01 -0.140676D+02  0.709952D+01 -0.115503D+02  0.974877D+01
      3   0.191554D+02 -0.592911D+01  0.104643D+01 -0.230147D+01 -0.108136D+02
      4   0.229360D+02 -0.575949D+01  0.647732D+01 -0.171649D+01 -0.132312D+02
      5  -0.542506D+01  0.556710D+00  0.778333D+01  0.275272D+00 -0.371401D+01
      6   0.541887D+01  0.143773D+01 -0.104087D+02  0.224476D+00  0.277667D+01
                51            52            53            54            55 
      1   0.124373D+01 -0.968459D+01  0.253993D+01  0.203577D+02  0.718935D+01
      2   0.443482D+01  0.711275D+01  0.436180D+01 -0.136718D+02 -0.312834D+01
      3  -0.567855D+01  0.257185D+01 -0.690173D+01 -0.668591D+01 -0.406100D+01
      4  -0.918301D+00  0.667631D+01  0.124395D+01  0.362275D+01  0.151616D+02
      5   0.957855D+01  0.722570D+01  0.105168D+02  0.810197D+01 -0.992259D+01
      6  -0.133745D+02 -0.764298D+01 -0.159376D+02 -0.111714D+02  0.105575D+02
                56            57            58            59            60 
      1   0.162932D+00 -0.190237D+01 -0.152267D+01 -0.171003D+02  0.534541D+01
      2   0.341293D+01  0.377322D+01  0.378032D+01  0.266268D+02 -0.981865D+01
      3  -0.357587D+01 -0.187085D+01 -0.225765D+01 -0.952652D+01  0.447324D+01
      4  -0.395285D+01  0.796335D+01  0.265998D+01  0.444036D+01 -0.105826D+01
      5   0.481523D+01 -0.324100D+01  0.147748D+01 -0.135115D+01  0.985363D+00
      6  -0.466190D+01  0.825656D+01 -0.351921D+01 -0.147425D+02  0.304705D+01
                61            62            63            64            65 
      1  -0.339243D+00  0.833146D+01 -0.538178D+01  0.230136D+02 -0.328073D+01
      2   0.364323D+01 -0.123770D+02 -0.842478D+01 -0.165001D+02  0.163430D+01
      3  -0.330399D+01  0.404556D+01  0.138066D+02 -0.651349D+01  0.164644D+01
      4   0.602412D+01  0.576683D+00  0.815222D+01 -0.852129D+01  0.129303D+02
      5  -0.142812D+01  0.354423D+01 -0.344049D+01 -0.167504D+02  0.617763D+01
      6   0.820431D+01  0.469806D+00 -0.132292D+02  0.316006D+01 -0.217324D+01
                66            67            68            69            70 
      1  -0.880688D+01 -0.786303D+01 -0.217470D+01  0.135742D+01 -0.114934D+02
      2   0.109620D+02  0.503379D+01  0.359739D+01 -0.564839D+01  0.108652D+02
      3  -0.215507D+01  0.282924D+01 -0.142269D+01  0.429097D+01  0.628235D+00
      4   0.533913D+01  0.115325D+02 -0.126087D+02 -0.747704D+01  0.613338D+01
      5   0.165449D+02  0.910894D+01 -0.719617D+01 -0.785307D+01  0.217786D+02
      6  -0.313330D+01 -0.339499D+01  0.465755D+01  0.987382D+01 -0.181778D+01
                71            72            73            74            75 
      1  -0.249918D+01 -0.350983D+01  0.541715D+00  0.510412D+00 -0.353691D+00
      2  -0.856594D+00 -0.223525D+02 -0.425643D+01 -0.905990D+00 -0.187947D+01
      3   0.335577D+01  0.258623D+02  0.371472D+01  0.395577D+00  0.223316D+01
      4  -0.125517D+02 -0.935100D+01  0.221511D+00  0.192645D+01  0.395998D+00
      5  -0.710179D+01 -0.300378D+02  0.209351D+01  0.133046D+01  0.628528D+01
      6   0.884366D+01  0.706322D+01  0.141136D+01  0.334175D+00  0.325125D+00
                76            77            78            79            80 
      1   0.386475D+00 -0.414314D+01 -0.461314D+01 -0.103782D+01 -0.259584D+01
      2  -0.840243D+00 -0.968839D+00 -0.360180D+01 -0.157859D+01 -0.432334D+01
      3   0.453768D+00  0.511198D+01  0.821494D+01  0.261642D+01  0.691918D+01
      4   0.200270D+01  0.425350D+00  0.539248D+00  0.194394D+00  0.880697D+00
      5   0.594397D+00  0.765644D+00  0.177480D+01  0.521189D+01  0.105264D+01
      6   0.562997D+00  0.367197D+01  0.690113D+01 -0.680024D-01  0.610266D+01
                81            82            83            84            85 
      1  -0.171561D+02  0.165984D+02  0.591303D+01 -0.927502D+01  0.616421D+01
      2  -0.163667D+02 -0.111639D+02 -0.420334D+01  0.735885D+01 -0.366765D+01
      3   0.335228D+02 -0.543448D+01 -0.170969D+01  0.191617D+01 -0.249656D+01
      4   0.372427D+00  0.910642D+01  0.854386D+01 -0.455862D+01  0.923706D+01
      5   0.558941D+01 -0.155566D+02 -0.491379D+01  0.146076D+02 -0.556520D+01
      6   0.341608D+01 -0.365616D+01 -0.272595D+01  0.312824D+01 -0.373466D+01
                86            87            88            89            90 
      1   0.294517D+01 -0.215004D+01 -0.842517D+01 -0.147469D+01  0.460979D+01
      2  -0.442229D+00  0.150163D+01  0.854284D+01  0.308569D+01 -0.110616D+02
      3  -0.250294D+01  0.648410D+00 -0.117675D+00 -0.161100D+01  0.645179D+01
      4   0.711980D+01 -0.644587D+01 -0.416614D+01 -0.590817D+01  0.702012D+01
      5  -0.678828D+01  0.801498D+01  0.154599D+02  0.737766D+01 -0.186463D+02
      6  -0.444281D+01  0.584771D+01  0.332296D+01  0.518144D+01 -0.590571D+01
                91            92            93            94            95 
      1   0.191451D+02  0.101956D+02 -0.604776D+01  0.384711D+01  0.222483D+01
      2  -0.515078D+01 -0.137879D+00  0.175207D+01  0.254132D+01  0.613482D+01
      3  -0.139943D+02 -0.100577D+02  0.429568D+01 -0.638842D+01 -0.835965D+01
      4   0.213867D+02  0.179533D+02 -0.672609D+01  0.129038D+02  0.151502D+02
      5  -0.735178D+01 -0.471559D+01  0.629363D+01 -0.256799D+01 -0.302680D+01
      6  -0.505955D+01 -0.340366D+01  0.363448D+01 -0.265183D+01 -0.365850D+01
                96            97            98            99           100 
      1  -0.566607D+00 -0.923995D+01 -0.460155D+01  0.334426D+01  0.318271D+01
      2  -0.151304D+01  0.236659D+01 -0.158258D+01 -0.768913D+00 -0.105934D+00
      3   0.207964D+01  0.687336D+01  0.618412D+01 -0.257534D+01 -0.307677D+01
      4  -0.451213D+01 -0.146040D+02 -0.135847D+02  0.912959D+01 -0.196191D+02
      5   0.319606D+01  0.909867D+01  0.703142D+01 -0.739499D+01  0.140285D+02
      6   0.359707D+01  0.688037D+01  0.708468D+01 -0.657799D+01 -0.137163D+02
               101           102           103           104           105 
      1   0.215286D+01 -0.386270D+00  0.127383D+01 -0.332528D+01  0.180538D+01
      2  -0.567551D+01 -0.107362D+01 -0.420266D+01  0.659020D+01 -0.257239D+01
      3   0.352265D+01  0.145989D+01  0.292883D+01 -0.326492D+01  0.767007D+00
      4   0.152131D+02 -0.114797D+02  0.108947D+02 -0.772824D+01  0.403489D+01
      5  -0.840859D+01  0.108191D+02 -0.440770D+01  0.436403D+01 -0.231338D+01
      6   0.998210D+01 -0.105882D+02  0.594079D+01 -0.675097D+01  0.611181D+01
               106           107           108           109           110 
      1  -0.835991D+00  0.319112D+01 -0.312731D+01 -0.419876D+00 -0.224981D+00
      2  -0.173359D+01 -0.203459D+01 -0.157167D+01  0.144447D+01 -0.252357D+01
      3   0.256959D+01 -0.115653D+01  0.469898D+01 -0.102459D+01  0.274855D+01
      4  -0.114267D+02  0.560355D+01 -0.803569D+01 -0.945146D+00  0.402143D+01
      5   0.104153D+02 -0.508746D+01  0.828712D+01  0.171252D+00 -0.766999D+00
      6  -0.969058D+01  0.885525D+01 -0.102413D+02  0.768696D+00 -0.202344D+01
               111           112           113           114           115 
      1   0.170570D+01 -0.697048D+00 -0.603892D+01 -0.214941D+01  0.626667D+00
      2  -0.241727D+01 -0.152122D+01  0.126529D+02  0.753867D+01 -0.255196D+01
      3   0.711573D+00  0.221827D+01 -0.661402D+01 -0.538925D+01  0.192529D+01
      4   0.897327D+00  0.412717D+01 -0.353089D+01 -0.260231D+01  0.381510D+01
      5   0.215493D+01 -0.719677D+00 -0.103574D+01 -0.141341D+01  0.112380D+01
      6   0.986150D-01 -0.194498D+01  0.509043D+01  0.844230D+01  0.138757D+00
               116           117           118           119           120 
      1  -0.697568D+01 -0.300284D+01 -0.154877D+00 -0.569553D+01 -0.391781D+01
      2   0.143747D+02  0.894598D+01  0.157873D+00  0.470106D+01  0.117509D+01
      3  -0.739901D+01 -0.594314D+01 -0.299527D-02  0.994469D+00  0.274272D+01
      4  -0.491685D+01 -0.113252D+01 -0.129643D+01  0.176575D+01  0.179177D+01
      5  -0.831732D+00 -0.212460D+01 -0.493974D+00  0.283996D+00  0.756948D+00
      6   0.768739D+01  0.146837D+02  0.293743D+01  0.266733D+01  0.495422D+01
               121           122           123           124           125 
      1  -0.322684D+01 -0.101791D+02 -0.794089D+01 -0.415654D+01 -0.107899D+02
      2   0.238300D+01  0.103932D+02  0.656990D+01  0.114811D+01  0.907891D+01
      3   0.843844D+00 -0.214121D+00  0.137098D+01  0.300843D+01  0.171100D+01
      4   0.334597D+01 -0.417692D+01 -0.405313D+01  0.511707D+01 -0.794806D+01
      5   0.919055D+00 -0.495768D+01 -0.654378D+01  0.312671D+01 -0.939780D+01
      6   0.961558D+00  0.114284D+02  0.147051D+02  0.183937D+01  0.180359D+02
               126           127           128           129           130 
      1  -0.183102D+02  0.478517D+02 -0.119513D+02  0.418810D+01 -0.587072D+01
      2   0.192838D+01 -0.178749D+02 -0.138524D+01 -0.187965D+01 -0.202746D+01
      3   0.163818D+02 -0.299769D+02  0.133365D+02 -0.230845D+01  0.789818D+01
      4  -0.568878D+01 -0.378754D+02  0.223071D+02 -0.282683D+01  0.148614D+02
      5  -0.169175D+02  0.637340D+00  0.470442D+00  0.797878D+01  0.137406D+00
      6   0.261473D+02 -0.187366D+01 -0.274969D+00 -0.435738D+01  0.128262D+00
               131           132           133           134           135 
      1   0.522201D+01 -0.900204D-01  0.615501D+01 -0.147950D+01  0.278798D+01
      2   0.190109D+01 -0.107032D+01 -0.244437D+01 -0.133609D+01 -0.122665D+01
      3  -0.712311D+01  0.116034D+01 -0.371064D+01  0.281559D+01 -0.156133D+01
      4  -0.970480D+01  0.151074D+01 -0.542930D+01  0.363235D+01 -0.459582D+01
      5   0.715044D+00 -0.186702D+01  0.709868D+01 -0.359571D+01  0.160229D+01
      6  -0.549192D+00  0.328548D+01 -0.319008D+01  0.424712D+01 -0.501259D+00
               136           137           138           139           140 
      1  -0.158617D+01 -0.914331D+01  0.499041D+01 -0.663047D+01 -0.115815D+02
      2   0.297691D+01  0.110085D+02 -0.411685D+01  0.689329D+01  0.163642D+02
      3  -0.139074D+01 -0.186520D+01 -0.873560D+00 -0.262817D+00 -0.478272D+01
      4   0.100561D+02 -0.187060D+00 -0.386808D+01  0.299950D+01 -0.131612D+01
      5   0.128068D+01  0.782817D+00 -0.246731D+01  0.881164D+00  0.284783D+01
      6  -0.525790D+01 -0.392503D+01  0.728949D+01 -0.295223D+01 -0.776132D+01
               141           142           143           144           145 
      1   0.580766D+01  0.599996D+01  0.853997D+01 -0.111553D+02  0.176818D+01
      2  -0.822436D+01 -0.409635D+01 -0.121497D+02  0.730840D+01  0.154854D+00
      3   0.241670D+01 -0.190361D+01  0.360977D+01  0.384690D+01 -0.192303D+01
      4   0.266261D+00 -0.564695D+01  0.355010D+01  0.139630D+00  0.225278D+01
      5  -0.397790D+01 -0.903917D+00 -0.452690D+01  0.484621D+01  0.237986D+01
      6   0.962226D+01  0.498896D+01  0.109282D+02 -0.112029D+02  0.721052D+00
               146           147           148           149           150 
      1   0.293992D+01  0.277613D+01  0.400092D+01 -0.156135D+02 -0.341598D+01
      2  -0.172915D+01 -0.562838D+00 -0.166135D+01  0.280307D+02  0.118765D+01
      3  -0.121077D+01 -0.221330D+01 -0.233958D+01 -0.124172D+02  0.222833D+01
      4   0.424312D+01  0.287908D+00  0.743227D+01  0.277376D+02  0.624552D+01
      5   0.121551D+01  0.118699D+01  0.399980D+01  0.460494D+01  0.547914D+01
      6  -0.536758D+00 -0.503690D+00  0.189131D+01  0.192483D+02  0.952294D+01
               151           152           153           154           155 
      1   0.630450D+00 -0.282691D+01 -0.413270D+01 -0.353863D+01 -0.251827D+01
      2   0.137967D+00  0.117692D+01  0.238214D+01 -0.261253D+01 -0.460227D+00
      3  -0.768417D+00  0.164999D+01  0.175057D+01  0.615116D+01  0.297849D+01
      4  -0.136253D+00  0.155174D+01  0.163929D+01 -0.206488D+01 -0.212024D+01
      5   0.122770D+01  0.223802D+01  0.261946D+00 -0.328547D+01 -0.152707D+01
      6  -0.508559D+00  0.733477D+01  0.218763D+01 -0.151956D+01 -0.379776D+01
               156           157           158           159           160 
      1   0.106709D+02 -0.383602D+01 -0.530184D+01  0.481136D+01  0.899141D+01
      2   0.348098D+01  0.861938D+00  0.188501D+01  0.378200D+01  0.956762D+00
      3  -0.141519D+02  0.297408D+01  0.341683D+01 -0.859336D+01 -0.994817D+01
      4   0.115398D+01 -0.879920D+00 -0.594267D+00  0.200845D+01  0.202023D+01
      5  -0.628964D+00 -0.279938D+01  0.157464D+00 -0.358673D+01  0.376267D+01
      6   0.435760D+00 -0.229740D+01 -0.271290D+01  0.468155D+01  0.897471D+00
               161           162           163           164           165 
      1   0.343833D+01 -0.161611D+02  0.504633D+02 -0.398100D+01  0.134993D+02
      2   0.249827D+01 -0.103577D+02 -0.323218D+02  0.281450D+01 -0.129054D+02
      3  -0.593660D+01  0.265188D+02 -0.181415D+02  0.116650D+01 -0.593872D+00
      4   0.296609D+01 -0.324669D+01  0.356718D+01  0.819140D+01  0.197278D+01
      5  -0.530163D+00  0.498331D+01  0.321195D+02 -0.162758D+01  0.193878D+02
      6   0.505166D+01 -0.168877D+01 -0.344721D+00  0.398506D+01  0.112374D+01
               166           167           168           169           170 
      1  -0.789305D+01  0.370047D+01 -0.158887D+01  0.832992D+01  0.182203D+00
      2   0.526297D+01 -0.733165D+00  0.320564D+01 -0.864182D+01  0.108370D+01
      3   0.263007D+01 -0.296730D+01 -0.161676D+01  0.311904D+00 -0.126590D+01
      4   0.687544D+01 -0.895966D+00  0.246384D+01  0.113935D+01  0.134996D+01
      5  -0.558643D+01  0.357408D+01 -0.439850D+01  0.146804D+02 -0.171802D+01
      6   0.312304D+01 -0.396028D+00  0.219820D+01  0.522764D+00  0.175779D+01
               171 
      1   0.581882D+01
      2  -0.848823D+01
      3   0.266941D+01
      4  -0.551550D+00
      5   0.100995D+02
      6  -0.161196D+00
 Leave Link  716 at Thu Aug 12 22:39:46 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.800420D+02  0.466248D+00 -0.134036D+01
      2   0.466248D+00  0.813867D+02  0.183509D+01
      3  -0.134036D+01  0.183509D+01  0.729996D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.189848D+01 -0.305309D+01 -0.107495D+01
      2   0.140488D+02 -0.244396D+01  0.248866D+02
      3   0.111517D+02 -0.264959D+02  0.300239D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.738665D+02 -0.248649D+02  0.259608D+02
      2  -0.375587D+02  0.108344D+02 -0.222127D+02
      3  -0.363078D+02  0.140305D+02 -0.374806D+01
      4  -0.161113D+02  0.341571D+02  0.403113D+01
      5   0.195253D+02  0.343524D+01  0.387682D+02
      6   0.887284D+01 -0.136950D+02  0.774356D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.589214D+01  0.213433D+01 -0.356819D+01  0.248202D+01  0.914340D+00
      2   0.213433D+01  0.104102D+01  0.104108D-01  0.914340D+00 -0.608096D+01
      3  -0.356819D+01  0.104108D-01  0.177819D+01  0.213703D+00 -0.751721D+00
                 6             7             8             9            10 
      1   0.213703D+00 -0.269539D+01  0.901544D-01  0.231841D+01  0.538988D+01
      2  -0.751721D+00  0.901544D-01 -0.542737D-01  0.303607D+01 -0.316883D+01
      3   0.262772D+01  0.231841D+01  0.303607D+01  0.491372D+00  0.299897D+01
                11            12            13            14            15 
      1  -0.316883D+01  0.299897D+01 -0.450975D+01 -0.177437D+01  0.729985D+00
      2  -0.116212D+01  0.201046D+00 -0.177437D+01  0.377929D+01  0.100385D+01
      3   0.201046D+00 -0.261091D+01  0.729985D+00  0.100385D+01 -0.364784D+01
                16            17            18            19            20 
      1   0.556200D+01  0.132783D+00 -0.306722D+01 -0.584896D+01  0.413499D+01
      2   0.132783D+00  0.942030D+00 -0.405685D+01  0.413499D+01  0.132752D+01
      3  -0.306722D+01 -0.405685D+01 -0.750659D+00 -0.186914D+01 -0.771431D+00
                21            22            23            24            25 
      1  -0.186914D+01  0.223951D+01  0.104294D+01 -0.517687D-01 -0.287486D+01
      2  -0.771431D+00  0.104294D+01 -0.159502D+01  0.660995D+00 -0.104340D+01
      3   0.102629D+01 -0.517687D-01  0.660995D+00  0.285838D+01  0.119854D+01
                26            27            28            29            30 
      1  -0.104340D+01  0.119854D+01  0.642406D+00 -0.204866D+01 -0.154506D+00
      2  -0.580699D+00  0.321778D+01 -0.204866D+01  0.105504D+01  0.114166D+01
      3   0.321778D+01  0.381424D+01 -0.154506D+00  0.114166D+01  0.413007D+00
                31            32            33            34            35 
      1  -0.176295D+01 -0.527614D+00  0.219705D+01 -0.275948D+01  0.159078D+01
      2  -0.527614D+00 -0.521276D+00  0.867458D+00  0.159078D+01 -0.328386D-01
      3   0.219705D+01  0.867458D+00 -0.282831D+01  0.113161D+01 -0.224365D+01
                36            37            38            39            40 
      1   0.113161D+01  0.407556D+01  0.596498D+00 -0.267749D+01  0.417999D-01
      2  -0.224365D+01  0.596498D+00  0.153951D+01 -0.134337D+01  0.783347D+00
      3  -0.324833D+01 -0.267749D+01 -0.134337D+01  0.920655D+00 -0.173349D+01
                41            42            43            44            45 
      1   0.783347D+00 -0.173349D+01 -0.394712D+01 -0.273993D+01  0.483312D+00
      2  -0.356055D+01 -0.209926D+01 -0.273993D+01 -0.379220D+01 -0.250679D+00
      3  -0.209926D+01  0.250001D+00  0.483312D+00 -0.250679D+00 -0.254048D+01
                46            47            48            49            50 
      1  -0.532900D+01  0.288698D+01 -0.211898D+01  0.191667D+01  0.193675D+01
      2   0.288698D+01  0.154294D+01  0.795449D-02  0.193675D+01 -0.301026D+01
      3  -0.211898D+01  0.795449D-02  0.260744D+01 -0.186772D+00 -0.507012D+00
                51            52            53            54            55 
      1  -0.186772D+00 -0.224481D+01 -0.108135D+00  0.228766D+01  0.432263D+01
      2  -0.507012D+00 -0.108135D+00  0.444407D-01  0.418021D+01 -0.175655D+01
      3   0.364715D+01  0.228766D+01  0.418021D+01  0.296925D+01  0.218302D+01
                56            57            58            59            60 
      1  -0.175655D+01  0.218302D+01 -0.694519D+00  0.555068D+00 -0.409255D+00
      2   0.179947D+01 -0.371059D+00  0.555068D+00  0.368613D+01 -0.161339D+01
      3  -0.371059D+00  0.171142D+01 -0.409255D+00 -0.161339D+01 -0.116492D+01
                61            62            63            64            65 
      1   0.222524D+01 -0.474698D+00  0.155984D+01 -0.387530D+01  0.171920D+01
      2  -0.474698D+00 -0.220073D+01 -0.846042D+00  0.171920D+01 -0.191286D+01
      3   0.155984D+01 -0.846042D+00 -0.317812D+01  0.304949D+01 -0.680688D+00
                66            67            68            69            70 
      1   0.304949D+01  0.290271D+01 -0.125564D+01 -0.120229D+01  0.488401D+01
      2  -0.680688D+00 -0.125564D+01  0.379724D+01  0.171929D+01 -0.449472D+00
      3  -0.188098D+01 -0.120229D+01  0.171929D+01  0.245489D+01 -0.288477D+01
                71            72            73            74            75 
      1  -0.449472D+00 -0.288477D+01  0.319171D+00 -0.783096D+00 -0.101481D+01
      2   0.320468D+01  0.200951D+01 -0.783096D+00 -0.222278D+00 -0.554658D-01
      3   0.200951D+01  0.778878D+01 -0.101481D+01 -0.554658D-01 -0.625633D+00
                76            77            78            79            80 
      1  -0.117040D+01 -0.307748D+00 -0.147486D+00 -0.111045D+01  0.666167D-01
      2  -0.307748D+00 -0.920315D+00 -0.153190D+01  0.666167D-01 -0.175702D+01
      3  -0.147486D+00 -0.153190D+01 -0.195443D+01 -0.895692D+00 -0.152958D+01
                81            82            83            84            85 
      1  -0.895692D+00  0.307345D+01  0.152379D+01 -0.245686D+01  0.239620D+01
      2  -0.152958D+01  0.152379D+01  0.166264D+01 -0.663264D+00  0.163298D+01
      3  -0.730944D+01 -0.245686D+01 -0.663264D+00  0.252196D+01 -0.854302D+00
                86            87            88            89            90 
      1   0.163298D+01 -0.854302D+00 -0.345031D+01 -0.636882D+00  0.263281D+01
      2   0.139767D+01 -0.144377D+01 -0.636882D+00 -0.172704D+01  0.176310D+01
      3  -0.144377D+01  0.189758D+01  0.263281D+01  0.176310D+01 -0.387636D+01
                91            92            93            94            95 
      1  -0.470777D+01 -0.326020D+01  0.143876D+01 -0.210343D+01 -0.204297D+01
      2  -0.326020D+01 -0.334875D+01  0.104779D+01 -0.204297D+01 -0.332294D+01
      3   0.143876D+01  0.104779D+01 -0.138655D+01  0.726486D+00  0.758277D+00
                96            97            98            99           100 
      1   0.726486D+00  0.317274D+01  0.235064D+01 -0.188687D+01 -0.465195D+01
      2   0.758277D+00  0.235064D+01  0.273302D+01 -0.157710D+01  0.288403D+01
      3  -0.952128D+00 -0.188687D+01 -0.157710D+01  0.162620D+01 -0.265254D+01
               101           102           103           104           105 
      1   0.288403D+01 -0.265254D+01  0.175693D+01 -0.151903D+01  0.754068D+00
      2  -0.255067D+01  0.148313D+01 -0.151903D+01  0.200782D+01 -0.904126D+00
      3   0.148313D+01 -0.206563D+01  0.754068D+00 -0.904126D+00  0.803527D+00
               106           107           108           109           110 
      1  -0.313185D+01  0.137987D+01 -0.204753D+01  0.911555D-01  0.523742D+00
      2   0.137987D+01 -0.175092D+01  0.144604D+01  0.523742D+00 -0.422807D+00
      3  -0.204753D+01  0.144604D+01 -0.231605D+01  0.383133D+00 -0.484462D+00
               111           112           113           114           115 
      1   0.383133D+00  0.682694D+00 -0.333633D+00 -0.536236D+00  0.129413D+01
      2  -0.484462D+00 -0.333633D+00  0.250335D+01  0.118077D+01 -0.599933D+00
      3   0.811199D-01 -0.536236D+00  0.118077D+01  0.169148D+01  0.722900D-01
               116           117           118           119           120 
      1  -0.599933D+00  0.722900D-01 -0.651517D-01 -0.791153D+00 -0.728496D+00
      2   0.308330D+01  0.164873D+01 -0.791153D+00 -0.915569D+00 -0.470977D+00
      3   0.164873D+01  0.358839D+01 -0.728496D+00 -0.470977D+00 -0.109415D+01
               121           122           123           124           125 
      1  -0.677045D+00 -0.321112D+00 -0.102604D+00 -0.121071D+01  0.116455D+00
      2  -0.321112D+00 -0.226270D+01 -0.195397D+01  0.116455D+00 -0.334395D+01
      3  -0.102604D+00 -0.195397D+01 -0.235584D+01 -0.546215D+00 -0.331551D+01
               126           127           128           129           130 
      1  -0.546215D+00  0.892477D+01 -0.332199D+01  0.847432D+00 -0.160560D+01
      2  -0.331551D+01 -0.332199D+01  0.269640D+01 -0.128704D+00  0.154188D+01
      3  -0.621778D+01  0.847432D+00 -0.128704D+00  0.110369D+01 -0.103600D+00
               131           132           133           134           135 
      1   0.154188D+01 -0.103600D+00  0.118289D+01 -0.447933D+00  0.950216D+00
      2  -0.109492D+01  0.228626D+00 -0.447933D+00  0.572008D+00 -0.863120D+00
      3   0.228626D+00 -0.488558D+00  0.950216D+00 -0.863120D+00  0.176647D+00
               136           137           138           139           140 
      1  -0.371564D+01 -0.735154D+00  0.143304D+01 -0.733648D+00 -0.100238D+01
      2  -0.735154D+00 -0.213940D+01  0.717313D+00 -0.100238D+01 -0.278038D+01
      3   0.143304D+01  0.717313D+00 -0.168248D+01  0.454438D+00  0.139739D+01
               141           142           143           144           145 
      1   0.454438D+00  0.170237D+01  0.462501D+00 -0.117215D+01  0.453325D+00
      2   0.139739D+01  0.462501D+00  0.276303D+01 -0.203272D+01  0.818402D+00
      3  -0.166636D+01 -0.117215D+01 -0.203272D+01  0.256645D+01  0.352528D+00
               146           147           148           149           150 
      1   0.818402D+00  0.352528D+00  0.141359D+01  0.291923D+00  0.517687D+00
      2  -0.183943D+00  0.374613D-02  0.291923D+00  0.843231D+01  0.153081D+01
      3   0.374613D-02 -0.395466D+00  0.517687D+00  0.153081D+01  0.174126D+01
               151           152           153           154           155 
      1   0.675950D-01  0.645785D-01 -0.354564D+00 -0.207831D+01 -0.712210D+00
      2   0.645785D-01  0.587578D+00  0.754497D+00 -0.712210D+00 -0.110231D+01
      3  -0.354564D+00  0.754497D+00  0.234041D+00  0.126781D+01  0.373871D+00
               156           157           158           159           160 
      1   0.126781D+01 -0.111917D+01 -0.646813D+00  0.265863D+00  0.145438D+01
      2   0.373871D+00 -0.646813D+00 -0.528356D+00  0.101167D+01  0.358248D+00
      3  -0.271472D+01  0.265863D+00  0.101167D+01 -0.204613D+01 -0.134711D+01
               161           162           163           164           165 
      1   0.358248D+00 -0.134711D+01  0.887189D+01 -0.644119D+00  0.328682D+01
      2   0.107715D+01 -0.921476D+00 -0.644119D+00  0.129616D+01 -0.174990D-01
      3  -0.921476D+00  0.479041D+01  0.328682D+01 -0.174990D-01  0.229273D+01
               166           167           168           169           170 
      1  -0.145562D+01  0.103207D+01 -0.531480D+00  0.187962D+01 -0.112243D+00
      2   0.103207D+01  0.738736D-01  0.446013D+00 -0.112243D+00  0.232446D+00
      3  -0.531480D+00  0.446013D+00 -0.867474D+00  0.156743D+01 -0.419228D+00
               171 
      1   0.156743D+01
      2  -0.419228D+00
      3   0.139143D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.575757D+01  0.143390D+01 -0.107361D+01  0.220720D+00 -0.979300D+01
      2   0.111934D+00 -0.214645D+01  0.121348D+02 -0.229233D+01 -0.288222D+01
      3  -0.834928D+01 -0.268800D+01 -0.321485D+01  0.174550D+01  0.119083D+02
                 6             7             8             9            10 
      1  -0.659703D+01 -0.128594D+01 -0.683986D+00  0.339600D+01  0.135791D+01
      2   0.494326D+01  0.667724D+01  0.589542D+01 -0.205291D+01  0.103965D+02
      3   0.163393D+01 -0.226475D+01 -0.127148D+00 -0.393737D+01  0.462764D+01
                11            12            13            14            15 
      1  -0.170087D+00 -0.217821D+00 -0.145009D+01 -0.821990D+00 -0.359572D+01
      2  -0.596592D-01  0.459599D+00 -0.329577D+01  0.935630D+00 -0.391678D+01
      3  -0.978977D+00 -0.188811D+01  0.568089D+01 -0.650146D+01  0.599945D+00
                16            17            18            19            20 
      1  -0.682074D+00  0.315655D+01  0.138869D+01 -0.301706D+01 -0.247319D+01
      2  -0.354295D+01 -0.415214D+01 -0.280736D+01 -0.602265D+01  0.551845D+00
      3   0.250716D+01  0.139834D+00  0.482976D+01 -0.692036D+00 -0.236596D+01
                21            22            23            24            25 
      1  -0.477711D+00 -0.876667D+00  0.406657D+01 -0.289707D+01  0.146223D+00
      2   0.152193D+01  0.145577D+01 -0.934469D+00  0.200741D+01 -0.944730D+01
      3   0.184586D+01  0.314858D+01 -0.131946D+01  0.134551D+01 -0.168052D+01
                26            27            28            29            30 
      1   0.311027D+01 -0.463148D+01  0.104473D+01  0.484692D+01  0.227738D+01
      2   0.239292D+00 -0.326713D+00 -0.930035D+01 -0.287485D+01  0.179070D+01
      3   0.100057D+01  0.394290D+00 -0.797610D+01 -0.349584D+01  0.270617D+00
                31            32            33            34            35 
      1   0.246816D+01 -0.614224D+01 -0.106433D+01  0.134599D+01  0.679836D+00
      2   0.207279D+01  0.225148D+01 -0.138024D+01 -0.461640D+01 -0.162347D+01
      3   0.162819D+01  0.469629D+01 -0.502638D+01 -0.564987D+01 -0.112827D+02
                36            37            38            39            40 
      1   0.420788D+01 -0.339175D+01 -0.764210D+00  0.929636D-02 -0.490410D+00
      2   0.115613D+02  0.439787D+01  0.346023D+01 -0.147711D-01 -0.940295D+00
      3  -0.226586D+00 -0.402001D+01  0.751483D+00  0.906491D+00  0.587648D+01
                41            42            43            44            45 
      1   0.222249D+00 -0.482488D+01  0.330899D+01  0.395610D+01 -0.500770D+01
      2   0.291841D+01  0.104930D+01 -0.447723D+01  0.652674D+00  0.502074D+01
      3  -0.677315D+01 -0.176759D+01  0.219575D+01 -0.993829D+00 -0.285054D+01
                46            47            48            49            50 
      1  -0.521879D+01 -0.677464D+00  0.492984D+01 -0.962144D+00  0.937520D+00
      2  -0.618585D+01  0.680627D+00  0.544464D+01  0.269291D+00  0.790261D-01
      3   0.367766D+01 -0.122350D+02  0.369496D+01 -0.544459D+01  0.227777D+01
                51            52            53            54            55 
      1   0.539565D+01  0.312040D+01  0.114303D+02  0.451299D+01 -0.321340D+01
      2   0.594517D+01  0.114351D+01  0.728967D+01  0.560348D+01  0.541673D+01
      3   0.975271D+00  0.400625D+01  0.256379D+00 -0.118532D+02  0.933744D+01
                56            57            58            59            60 
      1   0.209315D+00 -0.524167D+01 -0.763156D-01 -0.191828D+01  0.206112D+00
      2  -0.100852D+01  0.470663D+01  0.342267D+00  0.183473D+01 -0.393434D+00
      3  -0.930444D+01  0.561243D+01  0.234662D+01  0.272049D+01 -0.877834D+00
                61            62            63            64            65 
      1  -0.444542D+01  0.963773D+01  0.922314D+01  0.460855D+00 -0.393378D+01
      2  -0.178086D+00  0.685098D+00  0.187069D+01  0.229063D-01  0.193802D+01
      3   0.313083D+01 -0.147357D+01  0.398830D+01  0.308309D+01 -0.561422D+01
                66            67            68            69            70 
      1   0.446563D+00 -0.792370D+00  0.360559D+01 -0.159373D+01 -0.377452D+00
      2   0.519115D+01  0.312210D+00 -0.449747D+01 -0.227504D+01 -0.244769D+01
      3  -0.115894D+01  0.204686D+01  0.510523D+01  0.432821D+01  0.492921D+01
                71            72            73            74            75 
      1   0.718474D+01 -0.168344D+00  0.123520D+01  0.523059D+00  0.331458D+00
      2  -0.288067D+01 -0.138491D+02 -0.284614D-02 -0.568515D+00 -0.173876D+00
      3   0.875327D+01  0.253791D+01  0.791737D-01 -0.110691D+01 -0.781342D+00
                76            77            78            79            80 
      1   0.238375D+00  0.215063D+01  0.115363D+01 -0.917156D-01  0.484251D+01
      2  -0.162189D+01 -0.125784D+00 -0.101478D+00 -0.297633D+01  0.334560D+00
      3   0.121973D+01 -0.410871D+00 -0.670970D+00  0.422615D+00 -0.552299D+00
                81            82            83            84            85 
      1   0.289172D+01 -0.585335D+00 -0.157261D+01 -0.319719D+00 -0.396792D+00
      2  -0.327049D-01 -0.119880D+01 -0.320551D-01  0.380245D+01  0.158096D+01
      3  -0.955949D+00 -0.143414D+01 -0.381827D+01  0.611621D+00  0.430526D+00
                86            87            88            89            90 
      1  -0.907097D+00 -0.792414D+00 -0.119410D+00  0.238892D+01 -0.157445D+00
      2  -0.982624D+00  0.278017D+01 -0.112614D+01  0.227747D+01 -0.436813D+01
      3  -0.233013D+01  0.173129D+01 -0.115722D+01  0.311124D+01 -0.180272D+01
                91            92            93            94            95 
      1   0.308269D+01  0.191812D+01 -0.294826D+01  0.222103D+01  0.224659D+01
      2  -0.275208D+01 -0.277260D+01  0.340577D+01 -0.171306D+01 -0.233582D+01
      3   0.166469D+01 -0.237672D+01 -0.663232D+00  0.102481D+01 -0.236944D+01
                96            97            98            99           100 
      1  -0.205425D+01 -0.289717D+01 -0.154964D+01  0.312760D+01  0.296197D+01
      2   0.242542D+01  0.271949D+01  0.296605D+01 -0.424310D+01 -0.515769D+01
      3   0.295211D+00 -0.107754D+01  0.248006D+01 -0.369288D+00 -0.102161D+02
               101           102           103           104           105 
      1   0.114721D+00  0.384210D+01 -0.184913D+00 -0.189450D+00 -0.140732D+01
      2   0.217066D+01 -0.543545D+00  0.164045D+01 -0.128177D+01  0.183541D+00
      3   0.389170D+01 -0.566560D+01  0.470428D+01 -0.211423D+01  0.140490D+01
               106           107           108           109           110 
      1   0.295045D+01 -0.296808D+00  0.284517D+01 -0.182740D+01  0.133601D+01
      2  -0.355934D+01  0.889899D+00 -0.936206D+00 -0.213719D+00  0.471212D+00
      3  -0.720825D+01  0.191176D+01 -0.399058D+01  0.508841D+00 -0.334696D+00
               111           112           113           114           115 
      1   0.625609D+00  0.156190D+01 -0.524360D+01 -0.559754D+01  0.580929D+00
      2   0.554525D-01  0.446105D+00 -0.975201D+00 -0.103776D+01 -0.129026D+01
      3   0.146098D+01  0.154846D+01 -0.390457D+00 -0.581513D+00  0.428801D+01
               116           117           118           119           120 
      1  -0.536938D+01 -0.125846D+02 -0.686576D+00  0.274452D+00 -0.227585D+01
      2  -0.113362D+01 -0.136280D+01 -0.167961D+01 -0.983608D+00 -0.144487D+01
      3  -0.200626D+00  0.404871D+00  0.238885D+01  0.208738D+01  0.191654D+01
               121           122           123           124           125 
      1  -0.381763D-01 -0.170434D+01 -0.485731D+01 -0.159992D+01 -0.141264D+01
      2  -0.109843D+01 -0.331756D+01 -0.376279D+01 -0.407377D+01 -0.478349D+01
      3   0.333531D+01  0.415839D+01  0.370781D+01  0.309799D+01  0.527664D+01
               126           127           128           129           130 
      1  -0.103518D+02  0.293377D+01 -0.881700D+00  0.282902D+01 -0.954685D+00
      2  -0.989983D+01  0.456238D+01 -0.115796D+01  0.488478D+01 -0.601629D+00
      3   0.709440D+01 -0.105120D+02 -0.236887D+01 -0.156423D+01  0.183853D+01
               131           132           133           134           135 
      1   0.806191D+00 -0.186090D+01  0.149620D+01 -0.637485D+00  0.862224D+00
      2   0.117066D+01 -0.137714D+01  0.118360D+01 -0.157989D+01  0.101804D+01
      3  -0.522939D+00 -0.340326D+00 -0.165688D+01 -0.809486D+00  0.393812D+00
               136           137           138           139           140 
      1   0.363180D+01  0.115188D+01 -0.425804D+01  0.140677D+01  0.312979D+01
      2   0.285128D+01  0.897139D+00 -0.161708D+01  0.118042D+01  0.210388D+01
      3   0.120076D+02  0.385642D+01 -0.448608D+01  0.514535D+01  0.633448D+01
               141           142           143           144           145 
      1  -0.507192D+01 -0.269871D+01 -0.250589D+01  0.609038D+01  0.874602D+00
      2  -0.218227D+01 -0.360321D+01 -0.307270D+01  0.340030D+01  0.107091D+01
      3  -0.386352D+01 -0.541022D+01 -0.509657D+01  0.612481D+01 -0.147582D+01
               146           147           148           149           150 
      1  -0.997197D+00  0.828306D+00 -0.118162D+01  0.111710D+02 -0.265124D+01
      2  -0.979783D+00 -0.491967D+00 -0.167752D+01  0.331122D+01  0.266393D+01
      3   0.694428D+00 -0.721807D-01  0.409662D+01 -0.153881D+02 -0.143944D+01
               151           152           153           154           155 
      1   0.892440D+00  0.881749D+00  0.876592D+00 -0.217942D+01 -0.293706D+01
      2  -0.179527D+01  0.126408D+01  0.494627D+00  0.879249D+01  0.215720D+01
      3  -0.265344D+00 -0.596101D+00 -0.203618D+01  0.276043D+00  0.385428D+00
               156           157           158           159           160 
      1   0.193487D+01 -0.122165D+01 -0.195988D+01  0.150615D+01  0.187635D+01
      2  -0.570668D+01  0.292229D+01  0.287252D+01 -0.384458D+01 -0.727671D+01
      3   0.453642D+00  0.148985D+01  0.171446D+00 -0.136265D+01  0.276416D+00
               161           162           163           164           165 
      1   0.428888D+01 -0.436351D+01 -0.322137D+01  0.259893D+01 -0.124176D+01
      2  -0.273319D+01  0.103885D+02 -0.577900D+01  0.117513D+01  0.309679D+01
      3  -0.878930D+00  0.419113D+00  0.679211D+01 -0.567464D+01  0.180457D+01
               166           167           168           169           170 
      1   0.117846D+01 -0.574324D+00  0.102224D+00 -0.128787D+01  0.159402D+01
      2   0.101837D+01 -0.144636D+00 -0.172669D+01 -0.133563D+01 -0.768121D+00
      3  -0.183948D+01  0.980912D+00 -0.761735D+00  0.151635D+01 -0.918446D+00
               171 
      1  -0.124059D+01
      2   0.119114D+01
      3   0.183520D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.263211D+02  0.913146D+01 -0.221844D+02  0.110356D+02  0.110468D+02
      2   0.224622D+02 -0.309084D+01  0.474860D+01 -0.549365D+01 -0.165509D+02
      3   0.385890D+01 -0.604062D+01  0.174358D+02 -0.554198D+01  0.550410D+01
      4   0.366799D+01  0.514070D+01 -0.152795D+01  0.450450D+01 -0.190893D+02
      5  -0.231870D+02  0.481122D+01 -0.359912D+01  0.663648D+01 -0.813181D+00
      6   0.204199D+01  0.270439D+01 -0.209375D+00  0.159286D+01 -0.105382D+02
                 6             7             8             9            10 
      1  -0.180801D+01 -0.173881D+02 -0.292422D+01  0.570288D+01  0.706508D+01
      2  -0.804147D+01  0.358154D+01 -0.587632D+01 -0.120644D+01 -0.270900D+01
      3   0.984947D+01  0.138065D+02  0.880054D+01 -0.449644D+01 -0.435608D+01
      4  -0.187729D+01 -0.640425D+00  0.339207D+00  0.108648D+02 -0.112518D+02
      5   0.692520D+01 -0.519442D+00  0.817873D+01  0.722070D+01  0.153909D+02
      6   0.775299D+00  0.139783D+01  0.104866D+01  0.759473D+01  0.569164D+01
                11            12            13            14            15 
      1  -0.108833D+02  0.115629D+02 -0.918573D+01 -0.261516D+01  0.301356D+01
      2   0.101318D+02 -0.717624D+01  0.991303D+01 -0.302525D+01 -0.142141D+01
      3   0.751479D+00 -0.438665D+01 -0.727302D+00  0.564040D+01 -0.159215D+01
      4  -0.267842D+01  0.234923D+01 -0.480374D+01  0.102628D+02  0.408922D+01
      5   0.263295D+01 -0.971574D+01  0.466843D+00  0.668952D+01 -0.115760D+02
      6  -0.355545D+00 -0.113283D+01  0.112993D+01 -0.207898D+01 -0.129555D+01
                16            17            18            19            20 
      1   0.108683D+02  0.129902D+01 -0.110475D+02 -0.927152D+01 -0.432951D+01
      2  -0.714794D+01 -0.232970D+01  0.834759D+01  0.693494D+01  0.523465D+01
      3  -0.372040D+01  0.103068D+01  0.269990D+01  0.233658D+01 -0.905135D+00
      4  -0.832421D+00  0.145085D+00 -0.116564D+02  0.978554D+00 -0.232660D+01
      5  -0.106331D+02 -0.120628D+02  0.158049D+01 -0.548129D+01 -0.232347D+00
      6  -0.233904D+01  0.344027D+00  0.100919D+01 -0.649877D+01 -0.334204D+01
                21            22            23            24            25 
      1   0.278978D+01  0.249200D+01  0.734749D+01  0.306561D+01  0.204991D+00
      2   0.163164D+01 -0.344206D+00 -0.829532D+01  0.577213D+01  0.176315D+01
      3  -0.442142D+01 -0.214779D+01  0.947831D+00 -0.883775D+01 -0.196814D+01
      4  -0.926101D-01 -0.677349D+01 -0.596417D+00  0.716036D+00  0.437288D+01
      5   0.740338D+00  0.380352D+01 -0.163286D+01  0.783581D+00  0.159983D+01
      6   0.147548D+01  0.116091D+01  0.672338D+01 -0.563281D+01 -0.636123D+00
                26            27            28            29            30 
      1   0.556894D+01  0.733658D+01 -0.191160D+01  0.175888D+01 -0.707580D+00
      2   0.445825D+01  0.951317D+01  0.199847D+01 -0.343929D+01 -0.704417D+01
      3  -0.100272D+02 -0.168497D+02 -0.868685D-01  0.168041D+01  0.775175D+01
      4   0.136323D+01 -0.159688D+01  0.337074D+01 -0.311384D+01 -0.729757D+01
      5  -0.147060D+01 -0.483676D+01  0.640453D+01 -0.661135D+01 -0.406643D+01
      6   0.676909D+00 -0.459209D+01 -0.323748D+01 -0.765539D+00  0.127687D+01
                31            32            33            34            35 
      1   0.535159D+01  0.479791D+01 -0.618816D+01  0.100045D+02 -0.354101D+01
      2  -0.626018D+01 -0.100530D+02  0.988911D+01 -0.910177D+01 -0.178797D+01
      3   0.908598D+00  0.525505D+01 -0.370095D+01 -0.902775D+00  0.532898D+01
      4  -0.560865D+01 -0.216511D+01 -0.371208D+01 -0.110471D+02  0.590936D+01
      5  -0.170121D+02 -0.322263D+01  0.396784D+01 -0.109917D+02  0.448592D+01
      6  -0.399466D+01 -0.677650D+01 -0.180746D+01 -0.714787D-01 -0.269584D+01
                36            37            38            39            40 
      1  -0.979507D+00 -0.118547D+01 -0.132205D+00  0.775742D+01 -0.198876D+01
      2   0.915247D+01 -0.219122D+00 -0.162998D+01 -0.203284D+01  0.152089D+01
      3  -0.817296D+01  0.140459D+01  0.176218D+01 -0.572458D+01  0.467874D+00
      4   0.610364D+01 -0.106653D+02 -0.711317D+00  0.115838D+02  0.644722D+01
      5   0.186008D+02  0.116075D+02  0.756145D+01  0.217848D+01  0.103582D+02
      6  -0.371010D+01  0.845556D+01  0.687503D+01 -0.166514D+01  0.643346D+01
                41            42            43            44            45 
      1  -0.145338D+02  0.283762D+01  0.116831D+02  0.539414D+01 -0.466019D+01
      2   0.246590D+02  0.477051D+00 -0.192814D+01  0.331231D+01 -0.747614D+00
      3  -0.101252D+02 -0.331467D+01 -0.975493D+01 -0.870645D+01  0.540780D+01
      4   0.109681D+02  0.944185D+01  0.184365D+02  0.157975D+02 -0.118914D+01
      5   0.100199D+02  0.282433D+01  0.270836D+01  0.236380D+01  0.108844D+02
      6   0.864623D+01  0.649809D+01 -0.176193D+01  0.637029D+01  0.871523D+01
                46            47            48            49            50 
      1  -0.257072D+02  0.199967D+02 -0.814595D+01  0.138517D+02  0.106480D+01
      2   0.655179D+01 -0.140676D+02  0.709952D+01 -0.115503D+02  0.974877D+01
      3   0.191554D+02 -0.592911D+01  0.104643D+01 -0.230147D+01 -0.108136D+02
      4   0.229360D+02 -0.575949D+01  0.647732D+01 -0.171649D+01 -0.132312D+02
      5  -0.542506D+01  0.556710D+00  0.778333D+01  0.275272D+00 -0.371401D+01
      6   0.541887D+01  0.143773D+01 -0.104087D+02  0.224476D+00  0.277667D+01
                51            52            53            54            55 
      1   0.124373D+01 -0.968459D+01  0.253993D+01  0.203577D+02  0.718935D+01
      2   0.443482D+01  0.711275D+01  0.436180D+01 -0.136718D+02 -0.312834D+01
      3  -0.567855D+01  0.257185D+01 -0.690173D+01 -0.668591D+01 -0.406100D+01
      4  -0.918301D+00  0.667631D+01  0.124395D+01  0.362275D+01  0.151616D+02
      5   0.957855D+01  0.722570D+01  0.105168D+02  0.810197D+01 -0.992259D+01
      6  -0.133745D+02 -0.764298D+01 -0.159376D+02 -0.111714D+02  0.105575D+02
                56            57            58            59            60 
      1   0.162932D+00 -0.190237D+01 -0.152267D+01 -0.171003D+02  0.534541D+01
      2   0.341293D+01  0.377322D+01  0.378032D+01  0.266268D+02 -0.981865D+01
      3  -0.357587D+01 -0.187085D+01 -0.225765D+01 -0.952652D+01  0.447324D+01
      4  -0.395285D+01  0.796335D+01  0.265998D+01  0.444036D+01 -0.105826D+01
      5   0.481523D+01 -0.324100D+01  0.147748D+01 -0.135115D+01  0.985363D+00
      6  -0.466190D+01  0.825656D+01 -0.351921D+01 -0.147425D+02  0.304705D+01
                61            62            63            64            65 
      1  -0.339243D+00  0.833146D+01 -0.538178D+01  0.230136D+02 -0.328073D+01
      2   0.364323D+01 -0.123770D+02 -0.842478D+01 -0.165001D+02  0.163430D+01
      3  -0.330399D+01  0.404556D+01  0.138066D+02 -0.651349D+01  0.164644D+01
      4   0.602412D+01  0.576683D+00  0.815222D+01 -0.852129D+01  0.129303D+02
      5  -0.142812D+01  0.354423D+01 -0.344049D+01 -0.167504D+02  0.617763D+01
      6   0.820431D+01  0.469806D+00 -0.132292D+02  0.316006D+01 -0.217324D+01
                66            67            68            69            70 
      1  -0.880688D+01 -0.786303D+01 -0.217470D+01  0.135742D+01 -0.114934D+02
      2   0.109620D+02  0.503379D+01  0.359739D+01 -0.564839D+01  0.108652D+02
      3  -0.215507D+01  0.282924D+01 -0.142269D+01  0.429097D+01  0.628235D+00
      4   0.533913D+01  0.115325D+02 -0.126087D+02 -0.747704D+01  0.613338D+01
      5   0.165449D+02  0.910894D+01 -0.719617D+01 -0.785307D+01  0.217786D+02
      6  -0.313330D+01 -0.339499D+01  0.465755D+01  0.987382D+01 -0.181778D+01
                71            72            73            74            75 
      1  -0.249918D+01 -0.350983D+01  0.541715D+00  0.510412D+00 -0.353691D+00
      2  -0.856594D+00 -0.223525D+02 -0.425643D+01 -0.905990D+00 -0.187947D+01
      3   0.335577D+01  0.258623D+02  0.371472D+01  0.395577D+00  0.223316D+01
      4  -0.125517D+02 -0.935100D+01  0.221511D+00  0.192645D+01  0.395998D+00
      5  -0.710179D+01 -0.300378D+02  0.209351D+01  0.133046D+01  0.628528D+01
      6   0.884366D+01  0.706322D+01  0.141136D+01  0.334175D+00  0.325125D+00
                76            77            78            79            80 
      1   0.386475D+00 -0.414314D+01 -0.461314D+01 -0.103782D+01 -0.259584D+01
      2  -0.840243D+00 -0.968839D+00 -0.360180D+01 -0.157859D+01 -0.432334D+01
      3   0.453768D+00  0.511198D+01  0.821494D+01  0.261642D+01  0.691918D+01
      4   0.200270D+01  0.425350D+00  0.539248D+00  0.194394D+00  0.880697D+00
      5   0.594397D+00  0.765644D+00  0.177480D+01  0.521189D+01  0.105264D+01
      6   0.562997D+00  0.367197D+01  0.690113D+01 -0.680024D-01  0.610266D+01
                81            82            83            84            85 
      1  -0.171561D+02  0.165984D+02  0.591303D+01 -0.927502D+01  0.616421D+01
      2  -0.163667D+02 -0.111639D+02 -0.420334D+01  0.735885D+01 -0.366765D+01
      3   0.335228D+02 -0.543448D+01 -0.170969D+01  0.191617D+01 -0.249656D+01
      4   0.372427D+00  0.910642D+01  0.854386D+01 -0.455862D+01  0.923706D+01
      5   0.558941D+01 -0.155566D+02 -0.491379D+01  0.146076D+02 -0.556520D+01
      6   0.341608D+01 -0.365616D+01 -0.272595D+01  0.312824D+01 -0.373466D+01
                86            87            88            89            90 
      1   0.294517D+01 -0.215004D+01 -0.842517D+01 -0.147469D+01  0.460979D+01
      2  -0.442229D+00  0.150163D+01  0.854284D+01  0.308569D+01 -0.110616D+02
      3  -0.250294D+01  0.648410D+00 -0.117675D+00 -0.161100D+01  0.645179D+01
      4   0.711980D+01 -0.644587D+01 -0.416614D+01 -0.590817D+01  0.702012D+01
      5  -0.678828D+01  0.801498D+01  0.154599D+02  0.737766D+01 -0.186463D+02
      6  -0.444281D+01  0.584771D+01  0.332296D+01  0.518144D+01 -0.590571D+01
                91            92            93            94            95 
      1   0.191451D+02  0.101956D+02 -0.604776D+01  0.384711D+01  0.222483D+01
      2  -0.515078D+01 -0.137879D+00  0.175207D+01  0.254132D+01  0.613482D+01
      3  -0.139943D+02 -0.100577D+02  0.429568D+01 -0.638842D+01 -0.835965D+01
      4   0.213867D+02  0.179533D+02 -0.672609D+01  0.129038D+02  0.151502D+02
      5  -0.735178D+01 -0.471559D+01  0.629363D+01 -0.256799D+01 -0.302680D+01
      6  -0.505955D+01 -0.340366D+01  0.363448D+01 -0.265183D+01 -0.365850D+01
                96            97            98            99           100 
      1  -0.566607D+00 -0.923995D+01 -0.460155D+01  0.334426D+01  0.318271D+01
      2  -0.151304D+01  0.236659D+01 -0.158258D+01 -0.768913D+00 -0.105934D+00
      3   0.207964D+01  0.687336D+01  0.618412D+01 -0.257534D+01 -0.307677D+01
      4  -0.451213D+01 -0.146040D+02 -0.135847D+02  0.912959D+01 -0.196191D+02
      5   0.319606D+01  0.909867D+01  0.703142D+01 -0.739499D+01  0.140285D+02
      6   0.359707D+01  0.688037D+01  0.708468D+01 -0.657799D+01 -0.137163D+02
               101           102           103           104           105 
      1   0.215286D+01 -0.386270D+00  0.127383D+01 -0.332528D+01  0.180538D+01
      2  -0.567551D+01 -0.107362D+01 -0.420266D+01  0.659020D+01 -0.257239D+01
      3   0.352265D+01  0.145989D+01  0.292883D+01 -0.326492D+01  0.767007D+00
      4   0.152131D+02 -0.114797D+02  0.108947D+02 -0.772824D+01  0.403489D+01
      5  -0.840859D+01  0.108191D+02 -0.440770D+01  0.436403D+01 -0.231338D+01
      6   0.998210D+01 -0.105882D+02  0.594079D+01 -0.675097D+01  0.611181D+01
               106           107           108           109           110 
      1  -0.835991D+00  0.319112D+01 -0.312731D+01 -0.419876D+00 -0.224981D+00
      2  -0.173359D+01 -0.203459D+01 -0.157167D+01  0.144447D+01 -0.252357D+01
      3   0.256959D+01 -0.115653D+01  0.469898D+01 -0.102459D+01  0.274855D+01
      4  -0.114267D+02  0.560355D+01 -0.803569D+01 -0.945146D+00  0.402143D+01
      5   0.104153D+02 -0.508746D+01  0.828712D+01  0.171252D+00 -0.766999D+00
      6  -0.969058D+01  0.885525D+01 -0.102413D+02  0.768696D+00 -0.202344D+01
               111           112           113           114           115 
      1   0.170570D+01 -0.697048D+00 -0.603892D+01 -0.214941D+01  0.626667D+00
      2  -0.241727D+01 -0.152122D+01  0.126529D+02  0.753867D+01 -0.255196D+01
      3   0.711573D+00  0.221827D+01 -0.661402D+01 -0.538925D+01  0.192529D+01
      4   0.897327D+00  0.412717D+01 -0.353089D+01 -0.260231D+01  0.381510D+01
      5   0.215493D+01 -0.719677D+00 -0.103574D+01 -0.141341D+01  0.112380D+01
      6   0.986150D-01 -0.194498D+01  0.509043D+01  0.844230D+01  0.138757D+00
               116           117           118           119           120 
      1  -0.697568D+01 -0.300284D+01 -0.154877D+00 -0.569553D+01 -0.391781D+01
      2   0.143747D+02  0.894598D+01  0.157873D+00  0.470106D+01  0.117509D+01
      3  -0.739901D+01 -0.594314D+01 -0.299527D-02  0.994469D+00  0.274272D+01
      4  -0.491685D+01 -0.113252D+01 -0.129643D+01  0.176575D+01  0.179177D+01
      5  -0.831732D+00 -0.212460D+01 -0.493974D+00  0.283996D+00  0.756948D+00
      6   0.768739D+01  0.146837D+02  0.293743D+01  0.266733D+01  0.495422D+01
               121           122           123           124           125 
      1  -0.322684D+01 -0.101791D+02 -0.794089D+01 -0.415654D+01 -0.107899D+02
      2   0.238300D+01  0.103932D+02  0.656990D+01  0.114811D+01  0.907891D+01
      3   0.843844D+00 -0.214121D+00  0.137098D+01  0.300843D+01  0.171100D+01
      4   0.334597D+01 -0.417692D+01 -0.405313D+01  0.511707D+01 -0.794806D+01
      5   0.919055D+00 -0.495768D+01 -0.654378D+01  0.312671D+01 -0.939780D+01
      6   0.961558D+00  0.114284D+02  0.147051D+02  0.183937D+01  0.180359D+02
               126           127           128           129           130 
      1  -0.183102D+02  0.478517D+02 -0.119513D+02  0.418810D+01 -0.587072D+01
      2   0.192838D+01 -0.178749D+02 -0.138524D+01 -0.187965D+01 -0.202746D+01
      3   0.163818D+02 -0.299769D+02  0.133365D+02 -0.230845D+01  0.789818D+01
      4  -0.568878D+01 -0.378754D+02  0.223071D+02 -0.282683D+01  0.148614D+02
      5  -0.169175D+02  0.637340D+00  0.470442D+00  0.797878D+01  0.137406D+00
      6   0.261473D+02 -0.187366D+01 -0.274969D+00 -0.435738D+01  0.128262D+00
               131           132           133           134           135 
      1   0.522201D+01 -0.900204D-01  0.615501D+01 -0.147950D+01  0.278798D+01
      2   0.190109D+01 -0.107032D+01 -0.244437D+01 -0.133609D+01 -0.122665D+01
      3  -0.712311D+01  0.116034D+01 -0.371064D+01  0.281559D+01 -0.156133D+01
      4  -0.970480D+01  0.151074D+01 -0.542930D+01  0.363235D+01 -0.459582D+01
      5   0.715044D+00 -0.186702D+01  0.709868D+01 -0.359571D+01  0.160229D+01
      6  -0.549192D+00  0.328548D+01 -0.319008D+01  0.424712D+01 -0.501259D+00
               136           137           138           139           140 
      1  -0.158617D+01 -0.914331D+01  0.499041D+01 -0.663047D+01 -0.115815D+02
      2   0.297691D+01  0.110085D+02 -0.411685D+01  0.689329D+01  0.163642D+02
      3  -0.139074D+01 -0.186520D+01 -0.873560D+00 -0.262817D+00 -0.478272D+01
      4   0.100561D+02 -0.187060D+00 -0.386808D+01  0.299950D+01 -0.131612D+01
      5   0.128068D+01  0.782817D+00 -0.246731D+01  0.881164D+00  0.284783D+01
      6  -0.525790D+01 -0.392503D+01  0.728949D+01 -0.295223D+01 -0.776132D+01
               141           142           143           144           145 
      1   0.580766D+01  0.599996D+01  0.853997D+01 -0.111553D+02  0.176818D+01
      2  -0.822436D+01 -0.409635D+01 -0.121497D+02  0.730840D+01  0.154854D+00
      3   0.241670D+01 -0.190361D+01  0.360977D+01  0.384690D+01 -0.192303D+01
      4   0.266261D+00 -0.564695D+01  0.355010D+01  0.139630D+00  0.225278D+01
      5  -0.397790D+01 -0.903917D+00 -0.452690D+01  0.484621D+01  0.237986D+01
      6   0.962226D+01  0.498896D+01  0.109282D+02 -0.112029D+02  0.721052D+00
               146           147           148           149           150 
      1   0.293992D+01  0.277613D+01  0.400092D+01 -0.156135D+02 -0.341598D+01
      2  -0.172915D+01 -0.562838D+00 -0.166135D+01  0.280307D+02  0.118765D+01
      3  -0.121077D+01 -0.221330D+01 -0.233958D+01 -0.124172D+02  0.222833D+01
      4   0.424312D+01  0.287908D+00  0.743227D+01  0.277376D+02  0.624552D+01
      5   0.121551D+01  0.118699D+01  0.399980D+01  0.460494D+01  0.547914D+01
      6  -0.536758D+00 -0.503690D+00  0.189131D+01  0.192483D+02  0.952294D+01
               151           152           153           154           155 
      1   0.630450D+00 -0.282691D+01 -0.413270D+01 -0.353863D+01 -0.251827D+01
      2   0.137967D+00  0.117692D+01  0.238214D+01 -0.261253D+01 -0.460227D+00
      3  -0.768417D+00  0.164999D+01  0.175057D+01  0.615116D+01  0.297849D+01
      4  -0.136253D+00  0.155174D+01  0.163929D+01 -0.206488D+01 -0.212024D+01
      5   0.122770D+01  0.223802D+01  0.261946D+00 -0.328547D+01 -0.152707D+01
      6  -0.508559D+00  0.733477D+01  0.218763D+01 -0.151956D+01 -0.379776D+01
               156           157           158           159           160 
      1   0.106709D+02 -0.383602D+01 -0.530184D+01  0.481136D+01  0.899141D+01
      2   0.348098D+01  0.861938D+00  0.188501D+01  0.378200D+01  0.956762D+00
      3  -0.141519D+02  0.297408D+01  0.341683D+01 -0.859336D+01 -0.994817D+01
      4   0.115398D+01 -0.879920D+00 -0.594267D+00  0.200845D+01  0.202023D+01
      5  -0.628964D+00 -0.279938D+01  0.157464D+00 -0.358673D+01  0.376267D+01
      6   0.435760D+00 -0.229740D+01 -0.271290D+01  0.468155D+01  0.897471D+00
               161           162           163           164           165 
      1   0.343833D+01 -0.161611D+02  0.504633D+02 -0.398100D+01  0.134993D+02
      2   0.249827D+01 -0.103577D+02 -0.323218D+02  0.281450D+01 -0.129054D+02
      3  -0.593660D+01  0.265188D+02 -0.181415D+02  0.116650D+01 -0.593872D+00
      4   0.296609D+01 -0.324669D+01  0.356718D+01  0.819140D+01  0.197278D+01
      5  -0.530163D+00  0.498331D+01  0.321195D+02 -0.162758D+01  0.193878D+02
      6   0.505166D+01 -0.168877D+01 -0.344721D+00  0.398506D+01  0.112374D+01
               166           167           168           169           170 
      1  -0.789305D+01  0.370047D+01 -0.158887D+01  0.832992D+01  0.182203D+00
      2   0.526297D+01 -0.733165D+00  0.320564D+01 -0.864182D+01  0.108370D+01
      3   0.263007D+01 -0.296730D+01 -0.161676D+01  0.311904D+00 -0.126590D+01
      4   0.687544D+01 -0.895966D+00  0.246384D+01  0.113935D+01  0.134996D+01
      5  -0.558643D+01  0.357408D+01 -0.439850D+01  0.146804D+02 -0.171802D+01
      6   0.312304D+01 -0.396028D+00  0.219820D+01  0.522764D+00  0.175779D+01
               171 
      1   0.581882D+01
      2  -0.848823D+01
      3   0.266941D+01
      4  -0.551550D+00
      5   0.100995D+02
      6  -0.161196D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.781427D+02      0.115796D+02      0.128840D+02
   aniso      0.877601D+01      0.130047D+01      0.144697D+01
   xx         0.800420D+02      0.118610D+02      0.131971D+02
   yx         0.466248D+00      0.690909D-01      0.768740D-01
   yy         0.813867D+02      0.120603D+02      0.134189D+02
   zx        -0.134036D+01     -0.198621D+00     -0.220996D+00
   zy         0.183509D+01      0.271932D+00      0.302565D+00
   zz         0.729996D+02      0.108174D+02      0.120360D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.781427D+02      0.115796D+02      0.128840D+02
   aniso      0.877601D+01      0.130047D+01      0.144697D+01
   xx         0.802800D+02      0.118963D+02      0.132364D+02
   yx        -0.106027D-01     -0.157116D-02     -0.174815D-02
   yy         0.734455D+02      0.108835D+02      0.121095D+02
   zx         0.599281D-01      0.888044D-02      0.988082D-02
   zy         0.301265D+01      0.446429D+00      0.496719D+00
   zz         0.807027D+02      0.119589D+02      0.133061D+02

 ----------------------------------------------------------------------
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 TRUTH, IN SCIENCE, CAN BE DEFINED AS THE WORKING HYPOTHESIS 
 BEST FITTED TO OPEN THE WAY TO THE NEXT BETTER ONE.

                              -- KONRAD LORENZ
 Job cpu time:       0 days  1 hours 37 minutes 33.3 seconds.
 Elapsed time:       0 days  0 hours 12 minutes 14.1 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:39:46 2021.
